data_2rlo_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 2rlo _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 3' ' ' ILE . . . . . . . . . . . . . 1.6 mp . . . . . 0 N--CA 1.455 -0.177 0 CA-C-O 120.614 0.245 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -60.42 130.47 33.94 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.554 2.169 . . . . 0.0 112.249 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.407 ' HB ' ' HB3' ' A' ' 29' ' ' LEU . 29.4 mm -95.77 -19.83 6.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.142 179.566 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.614 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 0.0 OUTLIER 176.21 110.76 0.02 OUTLIER 'General case' 0 C--O 1.217 -0.654 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 179.007 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -130.59 111.73 12.5 Favored 'General case' 0 C--N 1.313 -0.994 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.43 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -166.21 -175.46 3.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.24 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.436 ' CE1' HD11 ' A' ' 41' ' ' ILE . 0.7 OUTLIER -79.13 149.38 32.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.926 -179.741 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.442 ' CD2' ' HB3' ' A' ' 104' ' ' PHE . 3.6 mp -144.33 149.76 36.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.642 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.42 ' O ' ' HA ' ' A' ' 104' ' ' PHE . 1.1 mp -89.07 137.23 32.51 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.007 179.349 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.433 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.2 OUTLIER -129.49 122.82 30.05 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.94 0.4 . . . . 0.0 111.368 -179.494 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.448 ' HG2' ' CE2' ' A' ' 22' ' ' TRP . 30.6 mtm180 . . . . . 0 C--N 1.332 -0.181 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.318 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.2 mttt . . . . . 0 N--CA 1.456 -0.152 0 CA-C-O 121.03 0.443 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -167.43 99.45 0.5 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.854 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.494 ' CD1' ' N ' ' A' ' 22' ' ' TRP . 3.5 m95 -94.82 136.68 34.84 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.504 -178.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.36 159.26 17.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.47 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -70.46 120.19 15.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.979 0.418 . . . . 0.0 111.122 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 44.7 mmtt -122.68 -175.02 3.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.388 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.454 ' CE1' ' HB2' ' A' ' 44' ' ' TYR . 50.8 t80 -141.28 114.65 8.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.236 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.444 ' HB ' ' CH2' ' A' ' 115' ' ' TRP . 1.9 t -116.02 148.23 18.88 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.412 0 CA-C-O 121.052 0.453 . . . . 0.0 111.583 -179.357 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 89.7 m -138.65 111.53 7.78 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.076 178.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.564 ' HB2' ' CZ3' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -90.74 114.9 27.36 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 177.861 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.1 t -102.95 162.53 12.85 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.011 0.434 . . . . 0.0 111.392 -178.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 83.1 p -76.94 2.52 14.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.191 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 -92.75 26.04 2.88 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-O 120.758 0.313 . . . . 0.0 111.256 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 54.3 42.71 74.59 Favored Glycine 0 N--CA 1.448 -0.567 0 C-N-CA 120.577 -0.821 . . . . 0.0 111.672 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -138.73 132.73 31.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.075 0.464 . . . . 0.0 111.622 -179.426 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.675 ' HG ' ' CZ3' ' A' ' 102' ' ' TRP . 1.8 tp -112.6 116.8 30.77 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.749 179.252 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -116.32 147.66 41.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.952 0.406 . . . . 0.0 111.659 -179.101 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.411 ' CE1' ' HB3' ' A' ' 51' ' ' LYS . 1.0 OUTLIER -149.3 129.36 13.54 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.743 179.373 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.466 ' CD2' ' HA3' ' A' ' 50' ' ' GLY . 0.3 OUTLIER -117.76 161.96 31.42 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.835 -179.318 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -49.82 -37.7 45.84 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.669 2.246 . . . . 0.0 112.588 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.36 -168.85 1.46 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.81 0.338 . . . . 0.0 111.212 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.436 HD11 ' CE1' ' A' ' 9' ' ' PHE . 3.4 mp -67.7 -44.55 85.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.882 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.518 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 2.4 p-10 -51.95 -26.4 10.38 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.425 0.631 . . . . 0.0 109.938 179.051 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.461 ' HB3' ' O ' ' A' ' 48' ' ' THR . 3.7 m-20 -76.8 -40.41 48.19 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.832 179.43 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.454 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -70.73 -51.12 29.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.258 0.551 . . . . 0.0 110.149 179.54 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.449 HG21 ' CD2' ' A' ' 46' ' ' HIS . 24.7 mt -58.0 -62.12 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.087 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.518 ' CD2' ' O ' ' A' ' 42' ' ' ASN . 14.6 m-70 -73.46 -24.52 60.23 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.722 -1.127 . . . . 0.0 112.125 -178.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 75.81 68.33 0.07 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.97 0.414 . . . . 0.0 111.567 179.484 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.461 ' O ' ' HB3' ' A' ' 43' ' ' ASP . 43.6 p -141.73 116.57 9.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.143 179.17 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 68.3 88.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 -178.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.466 ' HA3' ' CD2' ' A' ' 38' ' ' HIS . . . -143.98 91.08 0.16 Allowed Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.684 -179.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.411 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 4.0 tptt -68.63 144.76 54.38 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.914 0.388 . . . . 0.0 111.212 -179.263 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -129.55 137.85 50.99 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.497 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.526 ' CE ' ' CG ' ' A' ' 102' ' ' TRP . 0.5 OUTLIER -121.72 120.64 35.27 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.519 -179.58 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -57.46 133.76 55.48 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.815 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.414 ' O ' ' HA ' ' A' ' 123' ' ' ILE . 46.9 mt -98.31 26.8 5.11 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.344 -179.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.02 -46.66 12.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.793 0.33 . . . . 0.0 110.983 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -135.12 57.22 1.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.792 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -110.67 161.8 15.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.937 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.54 151.41 48.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.221 179.359 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.461 ' HA ' ' O ' ' A' ' 93' ' ' LEU . 13.5 p . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.028 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.483 ' CE1' ' CE2' ' A' ' 109' ' ' PHE . 26.0 m-85 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 121.018 0.437 . . . . 0.0 111.442 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.7 mp0 -147.72 129.8 15.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.154 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -122.68 152.97 40.02 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.964 0.412 . . . . 0.0 111.396 -179.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.461 ' O ' ' HA ' ' A' ' 60' ' ' VAL . 3.2 mp -116.56 145.12 43.58 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.302 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.479 ' HB ' ' HB2' ' A' ' 102' ' ' TRP . 6.0 mm -114.44 108.45 25.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.949 179.319 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 52.8 t -97.26 129.27 47.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.155 0.502 . . . . 0.0 112.118 -179.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.67 -173.91 3.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.222 179.277 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.7 -18.62 40.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.415 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.0 t -100.26 23.42 10.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.895 0.379 . . . . 0.0 111.261 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 82.85 -20.6 9.15 Favored Glycine 0 CA--C 1.519 0.329 0 C-N-CA 120.591 -0.814 . . . . 0.0 113.278 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -51.88 120.3 5.17 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 117.051 0.425 . . . . 0.0 110.704 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 94' ' ' ILE . 1.4 m -120.63 114.62 21.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.017 0.437 . . . . 0.0 111.872 -179.351 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.675 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 38.7 m0 -90.04 105.68 17.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.208 178.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.494 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.8 OUTLIER -97.37 116.32 29.36 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.406 -0.518 . . . . 0.0 110.692 179.545 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.591 ' CZ ' ' HB3' ' A' ' 102' ' ' TRP . 18.0 m-85 -123.31 157.85 32.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.286 0.565 . . . . 0.0 111.673 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.453 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -123.44 101.72 7.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.668 178.734 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -54.56 131.75 43.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.726 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -69.32 -32.15 71.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.434 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.04 145.32 38.71 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.511 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.483 ' CE2' ' CE1' ' A' ' 90' ' ' PHE . 7.7 m-30 -66.07 -38.87 89.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.187 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -73.92 -35.23 64.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.069 0.462 . . . . 0.0 110.865 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.43 -41.06 98.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.336 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.59 -35.21 67.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.756 0.313 . . . . 0.0 110.911 -179.613 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -72.7 -48.35 39.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.511 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 118' ' ' ALA . . . -55.68 -46.55 77.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.179 179.421 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.614 ' CH2' ' O ' ' A' ' 6' ' ' LYS . 56.0 m95 -59.88 -55.19 37.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.918 179.058 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 42.0 t -55.57 -34.16 34.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.964 0.411 . . . . 0.0 110.264 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -79.87 -29.89 40.13 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.202 179.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 114' ' ' ALA . . . -69.48 -45.1 69.77 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.237 179.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 2.4 mp -65.5 -48.83 81.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.254 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.03 -32.76 74.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.91 0.386 . . . . 0.0 110.198 179.095 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 28.0 t -67.11 -45.29 77.64 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.348 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -61.99 -34.36 76.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.138 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.414 ' HA ' ' O ' ' A' ' 55' ' ' LEU . 16.5 mt -73.78 -35.47 43.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.778 179.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.75 -34.31 75.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.672 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -75.73 -36.56 59.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.005 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.8 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 20.3 mm . . . . . 0 N--CA 1.456 -0.173 0 CA-C-O 120.636 0.255 . . . . 0.0 110.787 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.57 127.37 25.77 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.357 2.038 . . . . 0.0 112.48 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.518 ' N ' ' O ' ' A' ' 29' ' ' LEU . 16.6 mm -93.89 -17.0 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.493 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.626 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 5.4 tptt 173.32 110.96 0.02 OUTLIER 'General case' 0 C--O 1.217 -0.608 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 179.246 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.429 ' HG2' ' CG2' ' A' ' 28' ' ' THR . 12.0 mt-30 -125.14 113.73 18.1 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 178.519 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -160.7 -176.81 5.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.03 0.443 . . . . 0.0 111.579 -179.554 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.442 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 1.3 m-85 -93.72 123.65 37.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.776 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.451 ' HB2' ' CG2' ' A' ' 27' ' ' VAL . 8.7 mp -115.15 154.33 29.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.877 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.471 ' CD2' ' HB2' ' A' ' 22' ' ' TRP . 1.2 tp -91.49 143.88 26.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.234 179.353 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.407 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.0 OUTLIER -136.5 111.97 9.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.833 0.349 . . . . 0.0 111.221 -179.751 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.416 ' HA ' ' HA ' ' A' ' 22' ' ' TRP . 11.5 ptt85 . . . . . 0 C--N 1.331 -0.222 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.105 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.474 ' HD3' ' CZ2' ' A' ' 22' ' ' TRP . 5.5 mttt . . . . . 0 C--O 1.232 0.134 0 CA-C-O 121.065 0.46 . . . . 0.0 111.216 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -158.68 96.3 1.37 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.578 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.513 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 2.8 m95 -90.22 136.99 32.71 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.426 -178.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -110.5 162.73 14.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.471 179.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -68.67 123.17 20.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.029 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.442 ' O ' ' HA ' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -126.84 173.16 9.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.46 179.827 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.445 ' CE1' ' HB2' ' A' ' 44' ' ' TYR . 54.0 t80 -131.8 114.91 15.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.597 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.451 ' CG2' ' HB2' ' A' ' 10' ' ' LEU . 1.7 t -115.44 147.8 18.59 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.372 0 CA-C-O 120.808 0.337 . . . . 0.0 111.609 -179.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.429 ' CG2' ' HG2' ' A' ' 7' ' ' GLN . 51.9 m -138.67 110.72 7.28 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.072 178.173 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.546 ' HB2' ' CZ3' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -90.3 117.12 28.78 Favored 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 177.587 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.6 t -108.98 161.46 15.13 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.961 0.41 . . . . 0.0 111.195 -178.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.8 t -76.56 2.05 15.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.213 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -90.93 25.92 2.26 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-O 120.82 0.343 . . . . 0.0 111.206 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.407 ' C ' ' HB2' ' A' ' 55' ' ' LEU . . . 53.14 40.4 59.37 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.057 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.402 ' CD1' ' HB3' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -139.23 125.14 19.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.068 0.461 . . . . 0.0 111.656 -179.622 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.618 ' HG ' ' CZ3' ' A' ' 102' ' ' TRP . 2.0 tp -105.7 116.92 32.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.631 179.046 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -112.68 146.56 38.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.918 0.389 . . . . 0.0 111.664 -179.008 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.41 ' CE1' ' HB2' ' A' ' 51' ' ' LYS . 0.5 OUTLIER -148.98 125.97 11.29 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.793 179.212 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.473 ' CD2' ' HA3' ' A' ' 50' ' ' GLY . 0.3 OUTLIER -118.26 162.52 29.59 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 115.399 -0.818 . . . . 0.0 110.695 -179.268 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -50.48 -38.27 53.52 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.547 2.165 . . . . 0.0 112.722 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 59.2 p -164.27 -169.77 1.9 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.871 0.367 . . . . 0.0 111.25 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.5 mp -67.12 -44.51 87.96 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.932 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.513 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 16.1 m120 -51.86 -26.38 9.93 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.441 0.639 . . . . 0.0 109.995 179.073 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.485 ' HB3' ' O ' ' A' ' 48' ' ' THR . 13.0 m-20 -76.82 -41.92 42.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.739 179.484 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.445 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 0.5 OUTLIER -68.68 -51.21 44.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.249 0.547 . . . . 0.0 110.123 179.464 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.44 HG21 ' CD2' ' A' ' 46' ' ' HIS . 29.8 mt -58.6 -62.5 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.267 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.513 ' CD2' ' O ' ' A' ' 42' ' ' ASN . 15.1 m-70 -73.59 -24.31 60.05 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.809 -1.087 . . . . 0.0 112.324 -178.455 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 76.72 73.82 0.08 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.039 0.447 . . . . 0.0 111.198 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.485 ' O ' ' HB3' ' A' ' 43' ' ' ASP . 50.3 p -145.94 117.91 8.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.113 179.283 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 4.7 m80 64.32 88.35 0.1 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 -178.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.473 ' HA3' ' CD2' ' A' ' 38' ' ' HIS . . . -143.32 90.39 0.17 Allowed Glycine 0 N--CA 1.448 -0.548 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.659 -179.548 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.414 ' HB3' ' CZ2' ' A' ' 102' ' ' TRP . 0.0 OUTLIER -68.59 144.48 54.51 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.877 0.37 . . . . 0.0 111.182 -179.238 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.402 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 50.6 mt-10 -128.29 133.16 48.69 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.383 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.531 ' CE ' ' CG ' ' A' ' 102' ' ' TRP . 0.5 OUTLIER -116.71 122.62 45.03 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.587 -179.768 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -56.47 132.3 50.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.655 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.455 ' HA ' ' OG1' ' A' ' 58' ' ' THR . 13.7 mt -96.04 24.68 5.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.358 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 tt -83.29 -61.46 1.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.238 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.2 ttm180 -117.67 43.76 2.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.182 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.456 ' HG1' HG12 ' A' ' 123' ' ' ILE . 0.3 OUTLIER -94.9 162.08 13.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.947 0.403 . . . . 0.0 110.815 179.831 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -131.66 156.72 45.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.627 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.8 m . . . . . 0 C--N 1.326 -0.421 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.633 179.647 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.47 ' CE1' ' CE2' ' A' ' 109' ' ' PHE . 2.7 m-85 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.812 0.339 . . . . 0.0 111.464 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -133.28 130.1 38.49 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.665 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -124.26 153.18 42.06 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.71 0.29 . . . . 0.0 110.965 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.422 ' HG ' ' ND1' ' A' ' 103' ' ' HIS . 1.3 mp -115.88 159.56 21.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.071 0.463 . . . . 0.0 111.824 -179.296 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.448 ' HB ' ' HB2' ' A' ' 102' ' ' TRP . 11.7 mm -130.26 108.57 16.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.291 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 58' ' ' THR . 57.7 t -102.1 133.21 46.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.799 0.333 . . . . 0.0 111.785 -179.496 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.85 -174.14 2.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.514 179.33 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 48.2 t -85.29 -3.6 58.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.55 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.6 t -110.56 21.39 16.66 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.827 0.346 . . . . 0.0 111.083 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 81.88 -19.93 8.84 Favored Glycine 0 CA--C 1.52 0.345 0 C-N-CA 120.812 -0.709 . . . . 0.0 113.425 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.83 126.62 26.46 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 117.01 0.405 . . . . 0.0 110.728 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 1.4 m -126.07 114.68 18.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.482 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.618 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 36.7 m0 -93.42 105.44 17.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.168 179.052 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.513 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.7 OUTLIER -94.63 116.13 28.39 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.514 179.26 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.542 ' CZ ' ' HB3' ' A' ' 102' ' ' TRP . 29.5 m-85 -122.12 164.84 17.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.276 0.56 . . . . 0.0 111.78 -179.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.44 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -128.16 103.6 7.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.552 178.784 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -54.04 123.59 13.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.618 -179.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.44 -29.18 67.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.764 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -117.79 150.63 38.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.603 179.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.47 ' CE2' ' CE1' ' A' ' 90' ' ' PHE . 8.0 m-30 -66.11 -41.34 90.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -73.79 -32.6 63.83 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.986 0.422 . . . . 0.0 110.542 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.19 -40.53 85.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.458 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -57.05 -34.13 67.93 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.767 0.318 . . . . 0.0 110.865 -179.731 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.505 ' O ' HG13 ' A' ' 116' ' ' VAL . 0.5 OUTLIER -74.76 -42.56 58.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.806 179.707 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 118' ' ' ALA . . . -61.05 -46.53 90.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.92 0.39 . . . . 0.0 110.037 179.438 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.626 ' CH2' ' O ' ' A' ' 6' ' ' LYS . 59.2 m95 -63.48 -51.79 64.09 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.764 178.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.505 HG13 ' O ' ' A' ' 113' ' ' ASP . 1.1 p -57.63 -32.44 42.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.884 0.373 . . . . 0.0 110.217 179.426 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -82.51 -30.92 29.5 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.196 179.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.417 ' CB ' ' CG2' ' A' ' 5' ' ' ILE . . . -67.46 -47.45 70.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.018 179.274 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.418 ' O ' HG13 ' A' ' 123' ' ' ILE . 2.4 mp -64.98 -51.15 70.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.481 -0.782 . . . . 0.0 109.635 178.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -61.53 -32.7 72.77 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.117 179.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.4 m -63.96 -49.5 72.3 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.425 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.405 ' HB3' ' HA2' ' A' ' 33' ' ' GLY . 92.9 mm-40 -62.14 -39.67 93.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.551 179.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.456 HG12 ' HG1' ' A' ' 58' ' ' THR . 14.3 mt -66.53 -41.18 88.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.88 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 17.1 tp -60.7 -36.3 78.46 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.675 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.31 -28.38 56.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.094 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.272 -179.717 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.421 ' O ' ' HB2' ' A' ' 31' ' ' SER . 17.9 mt . . . . . 0 N--CA 1.455 -0.205 0 CA-C-O 120.591 0.234 . . . . 0.0 110.816 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -60.63 124.77 15.72 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.225 1.95 . . . . 0.0 112.391 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.507 ' N ' ' O ' ' A' ' 29' ' ' LEU . 25.7 mm -93.82 -19.82 6.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.4 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.612 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 5.1 tptt 177.72 110.96 0.03 OUTLIER 'General case' 0 C--O 1.218 -0.582 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 179.154 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.86 113.5 16.0 Favored 'General case' 0 C--N 1.313 -0.998 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.469 179.673 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 43.8 p -168.24 -177.15 3.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -84.32 143.02 29.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.024 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.441 ' HB2' ' CG2' ' A' ' 27' ' ' VAL . 6.1 mp -134.76 155.19 51.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.476 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.44 ' CD2' ' HB2' ' A' ' 22' ' ' TRP . 1.1 tp -90.94 135.74 33.54 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.045 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.421 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.1 OUTLIER -125.97 112.91 16.47 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.862 0.363 . . . . 0.0 111.306 -179.412 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.844 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.527 0.08 0 CA-C-O 121.092 0.472 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -164.97 97.96 0.74 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.912 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.509 ' CD1' ' N ' ' A' ' 22' ' ' TRP . 2.8 m95 -97.23 136.03 38.32 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.394 -178.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.04 156.57 22.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.674 179.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.9 mmtp -64.26 119.12 9.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.116 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.8 mmtm -119.47 -178.34 3.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.748 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.458 ' O ' ' HA ' ' A' ' 37' ' ' TYR . 45.4 t80 -135.34 114.73 12.5 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.146 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.441 ' CG2' ' HB2' ' A' ' 10' ' ' LEU . 1.6 t -120.03 145.9 25.63 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.376 0 CA-C-O 120.961 0.41 . . . . 0.0 111.999 -179.342 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 89.9 m -138.72 110.52 7.17 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.053 177.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.548 ' HB2' ' CZ3' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -89.42 116.1 27.35 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 177.809 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.0 t -107.09 158.28 17.19 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.95 0.405 . . . . 0.0 111.289 -178.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.421 ' HB2' ' O ' ' A' ' 3' ' ' ILE . 1.1 t -74.76 2.32 10.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.141 179.521 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -90.25 26.05 2.03 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.857 0.361 . . . . 0.0 111.208 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.408 ' HA2' ' HB3' ' A' ' 122' ' ' GLN . . . 53.52 40.75 62.86 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.696 -0.764 . . . . 0.0 111.845 -179.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -139.34 123.59 18.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.962 0.41 . . . . 0.0 111.726 -179.427 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.629 ' HG ' ' CZ3' ' A' ' 102' ' ' TRP . 3.0 tp -103.01 117.09 33.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.542 178.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.71 144.67 42.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.105 0.478 . . . . 0.0 111.957 -178.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.458 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.3 OUTLIER -150.83 125.0 9.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.123 179.024 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.514 ' HB3' ' CB ' ' A' ' 43' ' ' ASP . 0.6 OUTLIER -113.65 159.44 35.59 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.115 -179.014 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -49.1 -29.64 16.67 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.759 2.306 . . . . 0.0 113.123 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.87 -170.75 0.33 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.832 0.348 . . . . 0.0 111.409 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.4 mp -64.76 -43.73 96.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.073 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.528 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 7.2 m-20 -51.74 -27.83 13.25 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.402 0.62 . . . . 0.0 109.88 179.211 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.514 ' CB ' ' HB3' ' A' ' 38' ' ' HIS . 3.8 m-20 -76.91 -39.6 50.26 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.839 179.426 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -71.53 -51.24 24.62 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.261 0.553 . . . . 0.0 110.054 179.612 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.452 HG21 ' CD2' ' A' ' 46' ' ' HIS . 19.3 mt -57.31 -61.64 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.901 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.528 ' CD2' ' O ' ' A' ' 42' ' ' ASN . 13.7 m-70 -73.44 -24.98 60.31 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.829 -1.078 . . . . 0.0 111.831 -178.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.4 t 74.7 72.04 0.1 Allowed 'General case' 0 C--O 1.232 0.155 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.439 ' CG2' ' HA ' ' A' ' 43' ' ' ASP . 31.1 p -87.22 -154.43 0.24 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.811 178.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -40.77 -55.85 2.32 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.93 0.395 . . . . 0.0 111.491 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.434 ' HA2' ' CD2' ' A' ' 38' ' ' HIS . . . 59.41 99.74 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.574 179.738 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.445 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . 0.5 OUTLIER -75.3 143.49 42.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.823 0.344 . . . . 0.0 110.938 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -138.8 133.25 31.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.646 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.545 ' CE ' ' CG ' ' A' ' 102' ' ' TRP . 0.4 OUTLIER -118.69 121.91 41.24 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.61 -179.727 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -57.35 130.45 46.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.454 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.443 ' O ' ' HA ' ' A' ' 123' ' ' ILE . 18.8 mt -95.05 28.25 2.86 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.547 -179.424 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.2 -61.59 1.81 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.808 0.337 . . . . 0.0 110.982 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.414 ' NH1' ' CB ' ' A' ' 97' ' ' SER . 19.3 mtm105 -116.61 50.86 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.754 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.42 ' OG1' ' HA ' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -100.28 161.99 13.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.074 -179.871 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.14 170.01 16.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.75 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.9 t . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.659 179.705 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.512 ' CE2' ' CD1' ' A' ' 109' ' ' PHE . 8.2 m-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.903 0.382 . . . . 0.0 111.263 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -138.71 129.77 26.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.551 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -119.25 149.61 41.48 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.928 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -112.32 141.31 46.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.77 -179.259 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.532 ' HB ' ' HB2' ' A' ' 102' ' ' TRP . 13.7 mm -111.38 108.58 25.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.191 179.52 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 99.0 t -96.75 132.6 40.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.961 0.41 . . . . 0.0 111.641 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.34 -174.05 2.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.229 179.231 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.414 ' CB ' ' NH1' ' A' ' 57' ' ' ARG . 0.3 OUTLIER -83.52 -20.18 34.36 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.238 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 8.6 t -100.14 23.57 9.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.836 0.35 . . . . 0.0 111.006 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 84.16 -21.82 9.44 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 120.679 -0.772 . . . . 0.0 113.23 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.99 123.94 7.92 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.94 0.37 . . . . 0.0 110.728 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.48 ' HA ' ' O ' ' A' ' 94' ' ' ILE . 23.4 m -125.2 114.78 19.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.837 0.351 . . . . 0.0 111.836 -179.529 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.629 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 38.5 m0 -92.84 105.5 17.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.972 178.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.491 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.8 OUTLIER -94.44 116.08 28.38 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.655 179.434 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.562 ' CZ ' ' HB3' ' A' ' 102' ' ' TRP . 17.3 m-85 -123.79 163.87 20.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.22 0.533 . . . . 0.0 111.402 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.426 ' HB3' ' CB ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -126.04 108.82 11.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.863 179.07 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -53.52 122.62 10.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.77 -179.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.65 -32.99 74.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.336 179.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -116.17 138.93 50.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.373 179.418 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.512 ' CD1' ' CE2' ' A' ' 90' ' ' PHE . 15.5 m-30 -57.32 -36.2 70.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.33 -179.483 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -73.92 -36.02 64.66 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.057 0.456 . . . . 0.0 110.891 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.47 -32.14 73.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.489 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.425 ' HG2' ' CD2' ' A' ' 90' ' ' PHE . 0.3 OUTLIER -56.78 -41.22 77.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.795 0.331 . . . . 0.0 110.816 -179.666 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -74.8 -46.73 34.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.635 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 118' ' ' ALA . . . -54.16 -51.92 62.78 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.475 179.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.612 ' CH2' ' O ' ' A' ' 6' ' ' LYS . 55.4 m95 -59.17 -52.63 64.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.985 179.079 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 67.6 t -57.58 -33.8 45.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 CA-C-O 120.869 0.366 . . . . 0.0 110.32 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.412 ' O ' ' CB ' ' A' ' 121' ' ' SER . 0.0 OUTLIER -80.87 -28.26 36.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.31 179.002 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 114' ' ' ALA . . . -70.97 -43.84 67.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.311 179.545 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 2.4 mp -67.32 -48.73 76.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.072 179.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -65.67 -32.79 74.55 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.913 0.387 . . . . 0.0 110.111 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.412 ' CB ' ' O ' ' A' ' 117' ' ' GLN . 12.9 t -66.36 -45.37 80.36 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.508 179.442 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.408 ' HB3' ' HA2' ' A' ' 33' ' ' GLY . 56.7 mm-40 -63.12 -33.97 76.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.412 179.609 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.443 ' HA ' ' O ' ' A' ' 55' ' ' LEU . 24.9 mt -72.24 -37.23 58.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.921 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.68 -35.68 80.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.58 179.574 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.44 -30.66 57.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.91 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.077 -179.94 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.6 mm . . . . . 0 N--CA 1.455 -0.189 0 CA-C-O 120.515 0.198 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -59.81 128.01 25.42 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.424 2.082 . . . . 0.0 112.469 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.495 ' N ' ' O ' ' A' ' 29' ' ' LEU . 24.8 mm -92.88 -20.13 6.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.045 179.642 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.601 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 0.2 OUTLIER 176.99 110.56 0.02 OUTLIER 'General case' 0 C--O 1.216 -0.687 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.124 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.401 ' HA ' ' HA ' ' A' ' 28' ' ' THR . 2.9 pt20 -130.73 109.51 10.66 Favored 'General case' 0 C--N 1.312 -1.055 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.433 179.379 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -164.59 -175.19 3.74 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.2 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -81.78 132.74 35.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.117 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.437 ' HB2' HG21 ' A' ' 27' ' ' VAL . 4.5 mp -126.43 151.88 47.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.357 179.628 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.444 ' CD2' ' HB2' ' A' ' 22' ' ' TRP . 1.0 OUTLIER -90.28 137.36 32.41 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 179.087 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.415 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.2 OUTLIER -126.09 126.53 44.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.914 0.388 . . . . 0.0 111.218 -179.504 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.458 ' NE ' ' CD2' ' A' ' 103' ' ' HIS . 15.3 mtt180 . . . . . 0 C--N 1.332 -0.162 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.088 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.405 ' HD2' ' CD ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER . . . . . 0 CA--C 1.528 0.107 0 CA-C-O 121.111 0.481 . . . . 0.0 111.186 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -157.62 97.02 1.56 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.494 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.548 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 3.7 m95 -88.83 136.82 32.81 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.448 -178.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.29 160.42 16.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.589 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.98 117.86 8.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.09 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -119.73 176.54 5.34 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.559 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.469 ' CE1' ' CG ' ' A' ' 44' ' ' TYR . 45.7 t80 -135.72 115.1 12.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.571 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.437 HG21 ' HB2' ' A' ' 10' ' ' LEU . 1.9 t -123.07 148.15 27.05 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.304 0 CA-C-O 120.947 0.403 . . . . 0.0 111.936 -179.285 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.401 ' HA ' ' HA ' ' A' ' 7' ' ' GLN . 95.9 m -138.89 110.57 7.11 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.06 177.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.573 ' HB2' ' CZ3' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -89.12 116.09 27.13 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 178.051 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.5 t -105.03 161.06 14.55 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.068 0.461 . . . . 0.0 111.392 -178.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.8 t -77.16 1.28 18.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.175 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -89.74 26.17 1.85 Allowed 'General case' 0 CA--C 1.522 -0.131 0 CA-C-O 120.814 0.34 . . . . 0.0 111.258 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 53.94 40.42 65.31 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.633 -0.794 . . . . 0.0 111.589 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -138.2 128.68 26.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.966 0.412 . . . . 0.0 111.443 -179.454 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.686 ' HG ' ' CZ3' ' A' ' 102' ' ' TRP . 2.3 tp -107.86 117.19 33.47 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.491 179.247 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -112.39 143.8 42.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.039 0.447 . . . . 0.0 112.038 -178.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.419 ' CD2' ' HB3' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -148.93 130.06 14.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.415 179.382 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.469 ' CD2' ' HA2' ' A' ' 50' ' ' GLY . 0.2 OUTLIER -119.81 156.55 53.94 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.816 -179.479 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_exo -51.52 -28.91 29.97 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.776 2.317 . . . . 0.0 112.599 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.49 -174.68 1.22 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.841 0.353 . . . . 0.0 111.111 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.4 mp -63.96 -44.35 97.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.486 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 43.2 m-20 -51.89 -29.38 19.64 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.309 0.576 . . . . 0.0 110.104 179.319 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.421 ' O ' ' HA ' ' A' ' 47' ' ' SER . 1.7 m-20 -76.9 -38.56 53.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.837 179.476 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.469 ' CG ' ' CE1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -70.45 -51.35 29.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.233 0.539 . . . . 0.0 110.168 179.479 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.423 HG13 ' CD2' ' A' ' 44' ' ' TYR . 23.2 mt -59.55 -62.48 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.233 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.486 ' CD2' ' O ' ' A' ' 42' ' ' ASN . 13.1 m-70 -73.32 -24.75 60.42 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.74 -1.118 . . . . 0.0 112.292 -178.506 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' A' ' 43' ' ' ASP . 1.4 m 76.61 73.03 0.07 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.827 0.346 . . . . 0.0 111.244 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 47.1 p -119.21 116.97 27.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 76.98 -59.74 0.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.459 -179.689 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.469 ' HA2' ' CD2' ' A' ' 38' ' ' HIS . . . 45.81 89.4 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.24 0 CA-C-N 115.564 -0.744 . . . . 0.0 113.159 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.424 ' HG2' ' CZ2' ' A' ' 102' ' ' TRP . 0.1 OUTLIER -78.9 141.24 37.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.761 0.315 . . . . 0.0 110.565 179.738 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -141.31 134.72 29.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.045 0.45 . . . . 0.0 110.931 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.561 ' CE ' ' CG ' ' A' ' 102' ' ' TRP . 0.9 OUTLIER -121.95 122.5 39.51 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.437 -179.868 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -58.07 128.01 34.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.48 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.9 mt -91.54 20.22 5.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.797 -179.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -83.19 -61.64 1.8 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.784 0.326 . . . . 0.0 110.767 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.1 ttm-85 -109.86 52.56 0.72 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.664 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -106.59 162.05 14.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.174 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.24 172.42 12.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.573 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.1 t . . . . . 0 C--N 1.327 -0.407 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.034 179.899 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.514 ' CG ' ' HG3' ' A' ' 112' ' ' ARG . 16.2 m-85 . . . . . 0 CA--C 1.527 0.085 0 CA-C-O 121.061 0.458 . . . . 0.0 111.798 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -128.11 129.87 47.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.554 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 5.0 p90 -130.33 151.86 50.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.95 0.405 . . . . 0.0 111.689 -179.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.45 ' HG ' ' CG ' ' A' ' 103' ' ' HIS . 0.6 OUTLIER -115.63 145.73 42.44 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.025 -179.862 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.519 ' HB ' ' HB2' ' A' ' 102' ' ' TRP . 11.7 mm -116.64 108.32 24.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.267 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 84.8 t -97.0 131.88 42.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.873 0.368 . . . . 0.0 111.601 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.4 -174.14 3.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.283 179.259 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 15.7 p -84.04 -17.3 40.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.274 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.2 t -101.89 23.39 11.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.939 0.4 . . . . 0.0 111.173 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 84.5 -21.76 10.13 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 120.799 -0.715 . . . . 0.0 113.329 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.07 128.47 16.29 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.93 0.365 . . . . 0.0 110.827 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.425 ' HA ' ' O ' ' A' ' 94' ' ' ILE . 2.5 m -128.6 114.64 16.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.018 0.437 . . . . 0.0 111.888 -179.42 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.686 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 38.4 m0 -94.57 105.42 17.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.259 178.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.548 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.8 OUTLIER -96.84 116.16 28.68 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.302 179.069 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.596 ' CZ ' ' HB3' ' A' ' 102' ' ' TRP . 17.5 m-85 -123.34 154.92 38.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.289 0.566 . . . . 0.0 111.906 -179.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.464 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 26.7 tt0 -121.81 93.53 4.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.303 178.31 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.642 ' HB3' ' HB3' ' A' ' 112' ' ' ARG . . . -40.6 162.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.408 -179.021 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -100.83 -51.86 3.45 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.598 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.444 ' O ' ' CD ' ' A' ' 112' ' ' ARG . 0.8 OUTLIER -98.06 133.08 43.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.888 -179.817 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.493 ' HA ' ' CG ' ' A' ' 112' ' ' ARG . 5.5 m-30 -50.27 -34.67 24.13 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.14 -179.542 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -74.13 -32.69 63.27 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.003 0.43 . . . . 0.0 110.08 178.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.6 -39.6 64.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.722 -179.573 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.642 ' HB3' ' HB3' ' A' ' 106' ' ' ALA . 0.0 OUTLIER -56.04 -44.19 78.57 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.472 -179.427 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -71.88 -41.03 68.5 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.527 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 118' ' ' ALA . . . -58.27 -48.31 80.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.47 179.436 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.601 ' CH2' ' O ' ' A' ' 6' ' ' LYS . 57.2 m95 -57.85 -53.69 55.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.972 179.331 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 74.4 t -55.61 -35.78 39.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-O 120.857 0.36 . . . . 0.0 110.181 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -79.51 -28.44 41.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.496 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 114' ' ' ALA . . . -69.32 -46.63 66.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.398 179.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 2.9 mp -66.0 -47.66 84.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.121 179.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -65.69 -32.8 74.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.884 0.374 . . . . 0.0 110.177 179.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.1 m -68.2 -46.17 71.36 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.508 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 68.9 mm-40 -62.59 -34.96 78.04 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.397 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 39.2 mt -73.95 -36.52 45.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.68 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 2.8 mp -68.64 -34.45 75.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.581 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.41 -33.23 58.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.006 179.935 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.416 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 10.8 mm . . . . . 0 N--CA 1.456 -0.155 0 CA-C-O 120.575 0.226 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 21.5 Cg_exo -64.62 127.54 19.08 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.39 2.06 . . . . 0.0 112.4 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.505 ' N ' ' O ' ' A' ' 29' ' ' LEU . 27.5 mm -91.69 -19.68 6.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.135 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.618 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 4.0 tptt 176.54 110.73 0.02 OUTLIER 'General case' 0 C--O 1.216 -0.676 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.212 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -129.88 112.7 13.81 Favored 'General case' 0 C--N 1.313 -1.019 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.597 179.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.4 p -166.94 -175.17 2.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.153 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.423 ' CE1' HD13 ' A' ' 41' ' ' ILE . 3.2 m-85 -83.28 140.13 32.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.059 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.432 ' CD2' ' HB3' ' A' ' 104' ' ' PHE . 6.5 mp -132.99 158.05 43.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.485 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.431 ' CD2' ' HB2' ' A' ' 22' ' ' TRP . 1.1 mp -93.96 135.01 35.75 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.15 179.31 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.464 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.1 OUTLIER -124.09 120.57 32.77 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.974 0.416 . . . . 0.0 111.343 -179.493 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.464 ' CD ' ' CD2' ' A' ' 103' ' ' HIS . 7.8 mtp-105 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.14 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.454 ' HD2' ' HG2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 121.073 0.463 . . . . 0.0 111.12 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -162.88 98.16 0.96 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.81 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.529 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 3.3 m95 -95.69 142.24 28.22 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.386 -178.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -117.15 156.04 28.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.564 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.48 123.63 19.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.026 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -125.25 -177.05 3.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.664 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.507 ' CE1' ' CG ' ' A' ' 44' ' ' TYR . 52.7 t80 -137.84 114.95 10.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.132 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.437 ' HB ' ' CH2' ' A' ' 115' ' ' TRP . 1.6 t -120.9 146.34 25.99 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.295 0 CA-C-O 120.945 0.402 . . . . 0.0 111.845 -179.213 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 95.7 m -138.77 110.84 7.3 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.028 177.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.557 ' HB2' ' CZ3' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -89.25 115.69 26.93 Favored 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 177.906 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.6 t -105.43 161.19 14.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.06 0.457 . . . . 0.0 111.484 -178.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.7 p -76.69 1.86 15.87 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.212 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 32.2 p30 -89.56 26.11 1.81 Allowed 'General case' 0 CA--C 1.521 -0.145 0 CA-C-O 120.759 0.314 . . . . 0.0 111.375 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.414 ' HA2' ' HB3' ' A' ' 122' ' ' GLN . . . 53.13 39.61 58.12 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.533 -0.842 . . . . 0.0 111.804 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.439 ' CE1' ' HB2' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -138.73 123.61 18.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.973 0.416 . . . . 0.0 111.518 -179.431 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.635 ' HG ' ' CZ3' ' A' ' 102' ' ' TRP . 3.7 tp -100.0 116.88 33.07 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 178.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.31 149.27 34.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.045 0.45 . . . . 0.0 111.853 -178.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.438 ' CE1' ' CB ' ' A' ' 51' ' ' LYS . 0.2 OUTLIER -158.24 130.61 7.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.277 179.247 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.479 ' CD2' ' HA2' ' A' ' 50' ' ' GLY . 0.1 OUTLIER -118.83 160.32 40.99 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.781 -179.465 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -50.56 -33.56 39.39 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.585 2.19 . . . . 0.0 112.394 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.3 t -167.09 -175.45 2.99 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.423 HD13 ' CE1' ' A' ' 9' ' ' PHE . 3.4 mp -63.16 -44.13 99.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.859 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.495 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 18.0 m120 -51.9 -28.98 18.1 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.31 0.576 . . . . 0.0 110.127 179.304 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.413 ' O ' ' HA ' ' A' ' 47' ' ' SER . 1.7 m-20 -76.87 -38.59 53.39 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.822 179.506 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.507 ' CG ' ' CE1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -70.76 -51.19 28.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.254 0.55 . . . . 0.0 110.208 179.612 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.429 HG13 ' CD2' ' A' ' 44' ' ' TYR . 20.4 mt -59.84 -61.94 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.192 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.495 ' CD2' ' O ' ' A' ' 42' ' ' ASN . 13.4 m-70 -73.53 -24.43 60.14 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.773 -1.103 . . . . 0.0 112.27 -178.566 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.414 ' HB2' ' O ' ' A' ' 46' ' ' HIS . 9.9 m 77.25 74.3 0.07 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.924 0.392 . . . . 0.0 111.325 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 31.9 p -123.43 120.58 33.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 179.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 77.63 -60.77 0.42 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.512 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.479 ' HA2' ' CD2' ' A' ' 38' ' ' HIS . . . 44.09 88.47 0.01 OUTLIER Glycine 0 CA--C 1.517 0.203 0 CA-C-N 115.49 -0.777 . . . . 0.0 113.277 179.587 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.438 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . 13.4 mmtt -84.45 129.37 34.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.736 0.303 . . . . 0.0 110.656 179.618 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.439 ' HB2' ' CE1' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -131.03 137.67 49.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.167 0.508 . . . . 0.0 111.146 -179.749 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.545 ' CE ' ' CG ' ' A' ' 102' ' ' TRP . 0.3 OUTLIER -121.99 122.07 38.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.365 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.48 130.67 43.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.585 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.46 ' O ' ' HA ' ' A' ' 123' ' ' ILE . 14.0 mt -95.56 25.83 4.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.495 -179.555 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.19 -61.73 1.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.785 0.326 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.08 52.09 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.625 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -102.25 161.95 13.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.047 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.07 167.29 18.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.444 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.6 m . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.032 179.97 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.502 ' CD1' ' CD1' ' A' ' 109' ' ' PHE . 3.9 m-85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.885 0.374 . . . . 0.0 111.291 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -140.95 129.87 23.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.362 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 30.3 p90 -123.64 159.26 29.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.859 0.361 . . . . 0.0 111.169 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.415 ' HG ' ' CG ' ' A' ' 103' ' ' HIS . 0.6 OUTLIER -120.35 149.63 42.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.194 -179.719 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.491 ' HB ' ' HB2' ' A' ' 102' ' ' TRP . 10.5 mm -122.24 108.45 21.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.347 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 62.6 t -100.32 132.43 45.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.974 0.416 . . . . 0.0 111.79 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.81 -174.08 3.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.255 179.243 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 52.7 p -88.37 -0.08 56.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.595 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.5 t -114.71 22.84 13.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.931 0.396 . . . . 0.0 110.951 179.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 83.87 -21.65 9.24 Favored Glycine 0 CA--C 1.52 0.358 0 C-N-CA 120.704 -0.76 . . . . 0.0 113.25 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -54.09 133.44 43.91 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.93 0.365 . . . . 0.0 110.747 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.427 ' HA ' ' O ' ' A' ' 94' ' ' ILE . 2.8 m -133.5 114.75 13.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.993 0.425 . . . . 0.0 111.66 -179.618 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.635 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 36.7 m0 -93.8 105.53 17.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.161 178.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.529 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.7 OUTLIER -96.22 115.92 28.19 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.415 -0.514 . . . . 0.0 110.198 179.062 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.561 ' CZ ' ' HB3' ' A' ' 102' ' ' TRP . 18.2 m-85 -121.64 163.1 19.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.258 0.551 . . . . 0.0 111.737 -179.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.424 ' HB3' ' CB ' ' A' ' 11' ' ' LEU . 37.8 tt0 -130.26 101.98 6.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.631 178.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -53.35 132.0 38.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.743 -179.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -67.84 -32.38 72.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.461 179.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.2 m -112.12 146.89 37.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.465 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.502 ' CD1' ' CD1' ' A' ' 90' ' ' PHE . 13.5 m-85 -66.04 -36.52 83.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.205 -179.65 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -73.63 -40.99 63.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.067 0.46 . . . . 0.0 110.749 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.14 -38.37 79.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.075 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.55 -47.77 78.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.977 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.452 ' O ' HG11 ' A' ' 116' ' ' VAL . 0.7 OUTLIER -66.55 -33.17 75.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.617 179.869 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.67 -46.83 71.24 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 179.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.618 ' CH2' ' O ' ' A' ' 6' ' ' LYS . 60.1 m95 -60.79 -49.72 76.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.947 179.163 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.452 HG11 ' O ' ' A' ' 113' ' ' ASP . 1.0 OUTLIER -57.57 -34.65 47.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.96 0.41 . . . . 0.0 110.358 179.668 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.426 ' N ' HG11 ' A' ' 116' ' ' VAL . 34.6 tt0 -80.52 -31.45 37.09 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.172 179.178 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.408 ' CB ' ' CG2' ' A' ' 5' ' ' ILE . . . -66.12 -48.09 72.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.473 179.497 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 2.7 mp -65.33 -48.84 81.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.987 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -64.74 -32.78 74.62 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.212 179.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.406 ' CB ' ' O ' ' A' ' 117' ' ' GLN . 4.8 m -66.48 -44.9 81.4 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.384 179.541 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.414 ' HB3' ' HA2' ' A' ' 33' ' ' GLY . 71.6 mm-40 -65.1 -35.65 81.81 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.447 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.46 ' HA ' ' O ' ' A' ' 55' ' ' LEU . 18.8 mt -72.49 -34.95 49.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.963 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.6 -36.29 78.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.516 179.61 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.51 -29.94 57.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.991 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.113 -179.952 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.8 mp . . . . . 0 N--CA 1.455 -0.181 0 CA-C-O 120.363 0.125 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -69.72 127.11 14.16 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.468 2.112 . . . . 0.0 112.305 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.44 ' CD1' ' N ' ' A' ' 5' ' ' ILE . 1.4 mp -90.93 -20.46 6.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.703 179.447 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.607 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 0.8 OUTLIER -176.54 110.59 0.09 Allowed 'General case' 0 C--O 1.216 -0.661 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 179.087 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -129.07 109.4 11.16 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-O 120.793 0.33 . . . . 0.0 110.305 179.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.7 -175.12 3.67 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.082 -179.679 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.46 ' CD1' ' N ' ' A' ' 9' ' ' PHE . 0.5 OUTLIER -85.17 141.45 30.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.959 -179.829 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.425 ' HB2' ' CG2' ' A' ' 27' ' ' VAL . 8.5 mp -132.65 158.02 43.34 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.451 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.459 ' HG ' ' CB ' ' A' ' 22' ' ' TRP . 1.2 tp -90.81 135.23 33.86 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 179.27 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.436 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.1 OUTLIER -123.66 109.86 14.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.229 -179.423 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.431 ' HB3' ' CE2' ' A' ' 22' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.97 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.465 ' HD3' ' CZ2' ' A' ' 22' ' ' TRP . 34.1 mttt . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 121.154 0.502 . . . . 0.0 111.205 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -162.34 97.71 1.01 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.713 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.583 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 3.2 m95 -93.15 131.87 37.82 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.394 -178.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.6 mtpp -110.29 155.72 21.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.433 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.2 mmtp -63.15 120.53 11.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.918 0.389 . . . . 0.0 110.781 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -125.52 -177.2 3.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.681 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.448 ' O ' ' HA ' ' A' ' 37' ' ' TYR . 43.0 t80 -133.73 131.67 39.68 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.359 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.433 ' HB ' ' CH2' ' A' ' 115' ' ' TRP . 1.4 t -136.56 146.59 28.5 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.277 0 CA-C-O 120.918 0.39 . . . . 0.0 111.639 -179.53 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 85.1 m -138.82 110.85 7.28 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.434 178.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.534 ' HB2' ' CZ3' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -89.32 115.08 26.53 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 177.495 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.8 t -104.67 165.02 11.34 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.159 0.504 . . . . 0.0 111.654 -178.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.0 p -79.84 1.06 28.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.097 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -89.68 26.07 1.86 Allowed 'General case' 0 CA--C 1.521 -0.151 0 CA-C-O 120.729 0.3 . . . . 0.0 111.315 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 53.29 39.43 58.82 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.562 -0.827 . . . . 0.0 111.389 -179.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -139.16 137.31 35.96 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 121.057 0.456 . . . . 0.0 111.396 -179.402 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.61 ' HG ' ' CZ3' ' A' ' 102' ' ' TRP . 1.1 tp -117.19 117.29 29.17 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.884 179.203 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.407 ' HA ' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -114.26 152.49 31.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.096 -179.516 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.448 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -156.2 131.41 9.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.215 0.531 . . . . 0.0 111.099 179.348 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.436 ' CD2' ' HA3' ' A' ' 50' ' ' GLY . 0.7 OUTLIER -115.23 161.54 29.12 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.831 -179.528 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_exo -55.89 -38.02 95.12 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.603 2.202 . . . . 0.0 112.582 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.2 m -155.37 -175.57 5.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 0.0 111.196 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.46 ' CG1' ' CE1' ' A' ' 9' ' ' PHE . 3.4 mp -67.81 -43.6 86.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.514 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 6.2 m-20 -51.86 -26.45 10.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.353 0.597 . . . . 0.0 110.121 179.175 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.48 ' HB3' ' O ' ' A' ' 48' ' ' THR . 68.9 m-20 -76.73 -40.41 48.65 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.753 179.552 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -70.96 -51.09 27.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.23 0.538 . . . . 0.0 110.09 179.582 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.441 HG21 ' CD2' ' A' ' 46' ' ' HIS . 18.6 mt -58.08 -62.07 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.081 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.514 ' CD2' ' O ' ' A' ' 42' ' ' ASN . 14.3 m-70 -73.5 -24.43 60.18 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 114.77 -1.105 . . . . 0.0 112.016 -178.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.9 t 77.08 72.51 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.004 0.431 . . . . 0.0 111.097 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.48 ' O ' ' HB3' ' A' ' 43' ' ' ASP . 43.8 p -147.27 117.28 7.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.045 179.41 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 67.52 88.21 0.11 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.846 -178.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.436 ' HA3' ' CD2' ' A' ' 38' ' ' HIS . . . -145.02 91.39 0.16 Allowed Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 111.499 -0.64 . . . . 0.0 111.499 -179.681 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 36' ' ' LEU . 3.4 tttm -68.29 142.8 55.45 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.876 0.37 . . . . 0.0 111.378 -179.237 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -131.74 162.27 30.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.308 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.551 ' HE3' ' CE2' ' A' ' 102' ' ' TRP . 5.7 ptp -147.02 153.18 39.72 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.049 0.452 . . . . 0.0 111.544 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.66 126.81 32.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.811 -0.632 . . . . 0.0 109.5 178.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.487 ' O ' ' HA ' ' A' ' 123' ' ' ILE . 3.5 mt -90.08 22.64 3.15 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -178.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.1 tt -83.24 -61.62 1.8 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.809 0.338 . . . . 0.0 110.721 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.2 mtm180 -108.82 51.85 0.73 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.497 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -103.1 161.91 13.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.008 -179.722 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.78 166.83 22.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.508 179.634 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.5 m . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.902 179.901 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.597 ' CD1' ' N ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.776 0.322 . . . . 0.0 110.926 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -146.61 131.6 18.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.637 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -130.14 142.85 50.55 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.822 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.42 ' CD2' ' HB2' ' A' ' 103' ' ' HIS . 1.2 mt -105.1 150.31 25.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.067 -179.562 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.421 HD13 HG23 ' A' ' 94' ' ' ILE . 7.7 mm -125.17 112.44 31.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.958 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 84.8 t -103.95 129.29 56.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.906 0.384 . . . . 0.0 111.473 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 86.2 p -93.96 -174.13 3.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.519 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 6.8 p -80.21 -21.66 42.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.158 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.2 t -97.91 24.21 7.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.93 0.395 . . . . 0.0 111.241 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 76.89 -8.11 31.32 Favored Glycine 0 CA--C 1.52 0.404 0 C-N-CA 120.785 -0.721 . . . . 0.0 113.604 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -58.55 118.62 5.82 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 117.316 0.558 . . . . 0.0 110.437 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 94' ' ' ILE . 1.2 m -115.41 114.81 25.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.988 0.423 . . . . 0.0 111.751 -179.427 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.61 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 33.3 m0 -101.0 105.58 16.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.581 179.165 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.583 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.9 OUTLIER -93.8 116.14 28.6 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.105 178.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.551 ' CZ ' ' HB3' ' A' ' 102' ' ' TRP . 20.0 m-85 -122.44 158.89 28.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.423 0.63 . . . . 0.0 111.895 -179.563 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.43 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 23.3 tt0 -127.5 104.78 8.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.135 -0.938 . . . . 0.0 109.57 178.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -52.07 129.96 28.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.795 -179.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -68.85 -35.93 77.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.364 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.47 147.76 32.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.345 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.548 ' CE1' ' CD1' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -65.8 -34.18 77.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.203 -179.613 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 16.4 tm-20 -74.05 -32.71 63.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.065 0.46 . . . . 0.0 110.763 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.45 -35.45 73.34 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.765 -179.365 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.465 ' HG3' ' O ' ' A' ' 109' ' ' PHE . 5.4 ppt_? -56.61 -40.06 74.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.707 0.289 . . . . 0.0 110.825 -179.504 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.85 -48.61 24.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.571 179.361 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.407 ' O ' ' N ' ' A' ' 118' ' ' ALA . . . -52.6 -52.27 56.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.432 179.538 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.607 ' CH2' ' O ' ' A' ' 6' ' ' LYS . 55.6 m95 -57.26 -53.28 59.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.959 179.175 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 78.8 t -54.93 -34.45 31.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 CA-C-O 121.012 0.435 . . . . 0.0 110.122 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.4 ' O ' ' CB ' ' A' ' 121' ' ' SER . 0.9 OUTLIER -79.82 -29.27 40.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.206 178.938 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.413 ' CB ' ' CG2' ' A' ' 5' ' ' ILE . . . -67.82 -47.25 69.59 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-O 121.08 0.467 . . . . 0.0 110.431 179.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 3.3 mp -65.88 -48.54 81.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.018 179.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -65.43 -32.86 74.71 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.61 179.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 117' ' ' GLN . 58.2 p -69.15 -41.55 77.12 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.426 179.663 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 66.8 mm-40 -66.08 -31.07 71.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.267 179.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.487 ' HA ' ' O ' ' A' ' 55' ' ' LEU . 17.8 mt -73.21 -38.29 54.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.931 179.706 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 9.6 tt -68.69 -35.62 77.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.747 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.37 -30.52 57.6 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.947 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.928 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.447 ' CG2' ' HD2' ' A' ' 4' ' ' PRO . 1.8 mt . . . . . 0 N--CA 1.455 -0.2 0 CA-C-O 120.515 0.198 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.447 ' HD2' ' CG2' ' A' ' 3' ' ' ILE . 18.0 Cg_endo -59.93 127.09 22.17 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.355 2.036 . . . . 0.0 112.376 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.526 ' N ' ' O ' ' A' ' 29' ' ' LEU . 47.2 mm -91.97 -20.27 6.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.13 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.619 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 0.0 OUTLIER 179.93 110.5 0.04 OUTLIER 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 179.278 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -129.47 109.74 11.3 Favored 'General case' 0 C--N 1.311 -1.095 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.624 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.83 -175.12 3.63 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.268 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.421 ' CE1' HD11 ' A' ' 41' ' ' ILE . 2.0 m-85 -83.62 140.96 31.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.082 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.523 ' HB2' HG22 ' A' ' 27' ' ' VAL . 10.8 mp -131.5 156.31 45.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.514 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.422 ' CD2' ' HB2' ' A' ' 22' ' ' TRP . 1.2 tp -94.02 142.08 27.79 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 179.069 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.408 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.1 OUTLIER -134.6 111.11 9.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.906 0.384 . . . . 0.0 111.301 -179.631 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 . . . . . 0 C--N 1.331 -0.222 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.073 179.802 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.429 ' HD3' ' CZ2' ' A' ' 22' ' ' TRP . 4.0 mttt . . . . . 0 C--O 1.231 0.087 0 CA-C-O 121.017 0.437 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -164.64 98.18 0.78 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.958 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.54 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 3.9 m95 -94.27 138.74 31.92 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.373 -179.002 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.5 152.32 27.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.492 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.28 124.61 21.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.943 0.402 . . . . 0.0 110.944 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -124.92 -177.02 3.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.689 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.5 ' CZ ' ' CD2' ' A' ' 44' ' ' TYR . 50.0 t80 -138.22 114.99 10.67 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.301 -179.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.523 HG22 ' HB2' ' A' ' 10' ' ' LEU . 1.9 t -121.73 146.81 26.24 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.319 0 CA-C-O 121.038 0.447 . . . . 0.0 111.908 -179.382 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 90.5 m -138.75 111.03 7.4 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.883 177.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.53 ' HB2' ' CZ3' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -89.34 117.45 28.3 Favored 'General case' 0 N--CA 1.445 -0.698 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 177.945 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.1 t -106.35 162.01 14.06 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.011 0.434 . . . . 0.0 111.303 -178.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.6 t -76.66 2.52 13.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.248 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 35.1 t-20 -91.06 26.04 2.27 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-O 120.826 0.346 . . . . 0.0 111.209 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 52.42 41.85 56.1 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.476 -0.869 . . . . 0.0 111.633 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.419 ' CE2' ' HB2' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -139.18 123.62 18.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.02 0.438 . . . . 0.0 111.479 -179.352 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.666 ' HG ' ' CZ3' ' A' ' 102' ' ' TRP . 2.7 tp -100.67 116.96 33.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.649 179.073 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.35 146.45 39.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.969 0.414 . . . . 0.0 111.546 -179.15 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.418 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -157.15 132.84 9.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.468 179.2 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.483 ' CD2' ' HA2' ' A' ' 50' ' ' GLY . 0.1 OUTLIER -120.95 160.77 43.5 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.824 -179.464 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_exo -51.01 -35.89 52.06 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.669 2.246 . . . . 0.0 112.353 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.9 t -163.76 -176.16 4.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.421 HD11 ' CE1' ' A' ' 9' ' ' PHE . 3.3 mp -63.26 -43.77 98.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.869 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.495 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 47.7 m-80 -51.83 -28.78 16.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.341 0.591 . . . . 0.0 110.136 179.232 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.417 ' HB2' ' CB ' ' A' ' 38' ' ' HIS . 1.3 m-20 -76.98 -37.79 54.45 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.638 179.533 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.5 ' CD2' ' CZ ' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -71.42 -51.32 24.59 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.25 0.548 . . . . 0.0 110.233 179.552 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.428 HG22 ' CD2' ' A' ' 46' ' ' HIS . 19.8 mt -59.9 -61.93 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.311 -0.858 . . . . 0.0 111.186 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.495 ' CD2' ' O ' ' A' ' 42' ' ' ASN . 13.1 m-70 -73.49 -24.47 60.19 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.766 -1.106 . . . . 0.0 112.212 -178.529 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.403 ' HA ' ' O ' ' A' ' 43' ' ' ASP . 2.7 t 77.8 74.02 0.06 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.868 0.366 . . . . 0.0 111.271 179.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.42 ' O ' ' HB2' ' A' ' 49' ' ' HIS . 27.3 p -120.87 124.44 45.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.624 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.42 ' HB2' ' O ' ' A' ' 48' ' ' THR . 1.3 m-70 71.11 -60.16 0.52 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.405 -179.432 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.483 ' HA2' ' CD2' ' A' ' 38' ' ' HIS . . . 44.9 89.42 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.256 0 CA-C-N 115.571 -0.741 . . . . 0.0 113.272 179.484 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.412 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -83.87 131.37 34.88 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.689 0.281 . . . . 0.0 110.681 179.623 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.419 ' HB2' ' CE2' ' A' ' 34' ' ' PHE . 0.4 OUTLIER -132.11 133.28 44.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.152 0.501 . . . . 0.0 110.947 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.549 ' CE ' ' CG ' ' A' ' 102' ' ' TRP . 0.5 OUTLIER -118.91 120.1 36.28 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.345 -179.75 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -56.57 130.96 47.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.605 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.438 ' O ' ' HA ' ' A' ' 123' ' ' ILE . 43.2 mt -95.09 24.18 5.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.42 -179.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 26.3 tp -83.02 -57.37 3.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.758 0.313 . . . . 0.0 110.751 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 65.5 mtm180 -119.38 55.54 0.95 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.387 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -106.18 162.12 13.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.095 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -131.98 168.86 17.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.761 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.812 179.768 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.455 ' CD2' ' HA ' ' A' ' 109' ' ' PHE . 3.7 m-30 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.931 0.396 . . . . 0.0 111.137 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.435 ' HB3' ' HE1' ' A' ' 103' ' ' HIS . 12.5 mp0 -151.1 129.95 12.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.401 179.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 25.9 p90 -124.9 153.7 42.24 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.812 0.339 . . . . 0.0 111.238 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -118.76 143.45 46.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.161 -179.737 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.498 ' HB ' ' HB2' ' A' ' 102' ' ' TRP . 11.1 mm -114.35 108.68 26.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.461 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 90.1 t -101.53 133.87 43.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.94 0.4 . . . . 0.0 111.611 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.21 -173.94 2.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.249 179.239 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.53 -4.94 59.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.588 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 12.0 t -108.98 22.73 15.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.883 0.373 . . . . 0.0 111.266 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 80.64 -18.18 9.37 Favored Glycine 0 CA--C 1.521 0.455 0 C-N-CA 120.696 -0.764 . . . . 0.0 113.466 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.35 132.19 52.32 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 117.126 0.463 . . . . 0.0 110.702 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 94' ' ' ILE . 18.1 m -130.41 114.91 16.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.491 -179.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.666 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 36.1 m0 -93.66 105.66 17.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.171 179.083 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.54 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.8 OUTLIER -94.82 116.54 28.86 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.746 179.544 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.57 ' CZ ' ' HB3' ' A' ' 102' ' ' TRP . 19.7 m-85 -124.83 160.7 28.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.36 0.6 . . . . 0.0 112.006 -179.613 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.459 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 7.2 tm-20 -127.68 107.39 9.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.063 -0.971 . . . . 0.0 109.668 178.689 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -55.39 128.93 36.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.561 -179.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.63 -31.83 72.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.657 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.0 m -117.99 155.46 30.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.583 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.455 ' HA ' ' CD2' ' A' ' 90' ' ' PHE . 3.9 m-85 -65.99 -45.98 79.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.061 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.35 -32.83 74.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.893 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.42 -34.71 78.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.208 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.71 -49.36 75.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.02 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -68.04 -42.39 80.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.857 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 118' ' ' ALA . . . -55.12 -53.37 56.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.419 179.552 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.619 ' CH2' ' O ' ' A' ' 6' ' ' LYS . 55.6 m95 -57.87 -53.39 58.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.863 179.015 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 86.5 t -55.84 -33.54 34.93 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 CA-C-O 120.937 0.398 . . . . 0.0 110.104 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -80.03 -29.56 39.34 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.26 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.41 ' CB ' ' CG2' ' A' ' 5' ' ' ILE . . . -68.74 -47.22 66.87 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.038 0.447 . . . . 0.0 110.447 179.605 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 3.3 mp -66.01 -46.45 88.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.115 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -66.42 -32.88 74.53 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.185 179.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 28.8 t -68.44 -46.04 70.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.557 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -62.83 -33.91 76.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.302 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.438 ' HA ' ' O ' ' A' ' 55' ' ' LEU . 25.5 mt -74.26 -35.21 39.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.663 179.556 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 26.6 tp -68.76 -36.98 79.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.666 179.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.35 -31.44 58.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.021 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 37.6 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 179.907 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.2 mp . . . . . 0 N--CA 1.455 -0.195 0 CA-C-O 120.606 0.241 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -55.77 124.26 15.84 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.366 2.044 . . . . 0.0 112.473 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.627 ' O ' ' HD2' ' A' ' 6' ' ' LYS . 17.1 mm -82.79 -36.35 13.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.149 -0.932 . . . . 0.0 109.727 179.213 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.627 ' HD2' ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -174.1 111.55 0.17 Allowed 'General case' 0 CA--C 1.507 -0.708 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.986 177.943 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.491 ' HA ' ' HA ' ' A' ' 28' ' ' THR . 0.2 OUTLIER -121.34 108.09 13.29 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.665 178.948 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -156.0 -175.0 5.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.12 -179.42 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -84.71 144.89 28.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.273 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.499 ' HB2' HG23 ' A' ' 27' ' ' VAL . 10.9 mp -135.48 160.94 36.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.259 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.439 ' CD2' ' HB2' ' A' ' 22' ' ' TRP . 1.1 tp -97.61 142.05 29.9 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 179.068 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.448 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.0 OUTLIER -129.39 109.23 10.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.819 0.343 . . . . 0.0 111.155 -179.622 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.429 ' HB3' ' CE2' ' A' ' 22' ' ' TRP . 8.8 ptt180 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.6 mttt . . . . . 0 N--CA 1.456 -0.153 0 CA-C-O 121.075 0.464 . . . . 0.0 111.374 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -167.89 99.32 0.46 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.843 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.566 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 3.7 m95 -94.44 143.63 26.25 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.488 -178.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -118.51 157.19 27.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.507 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -63.21 127.85 33.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.096 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.413 ' HG3' ' HB2' ' A' ' 12' ' ' LYS . 19.4 mmtt -129.34 -176.27 3.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.691 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.484 ' O ' ' HA ' ' A' ' 37' ' ' TYR . 39.4 t80 -139.69 114.94 9.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.534 -179.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.499 HG23 ' HB2' ' A' ' 10' ' ' LEU . 2.0 t -120.19 148.85 23.06 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.267 0 CA-C-O 121.012 0.434 . . . . 0.0 111.784 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.491 ' HA ' ' HA ' ' A' ' 7' ' ' GLN . 85.4 m -138.65 110.66 7.27 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.867 178.467 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.564 ' HB3' ' HB ' ' A' ' 5' ' ' ILE . 0.2 OUTLIER -88.83 114.01 24.99 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 178.258 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.5 p -101.61 154.83 18.51 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.148 0.499 . . . . 0.0 111.729 -178.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.8 t -74.96 -1.18 21.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.066 179.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -91.08 26.1 2.26 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-O 120.772 0.32 . . . . 0.0 111.019 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 55.32 43.26 84.55 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.567 -0.825 . . . . 0.0 111.555 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.425 ' CE1' ' HB2' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -139.31 123.99 18.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.03 0.443 . . . . 0.0 111.654 -179.395 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.64 ' HG ' ' CZ3' ' A' ' 102' ' ' TRP . 1.1 tp -106.87 117.02 32.94 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.438 178.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.48 142.6 46.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.007 0.432 . . . . 0.0 111.664 -179.106 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.484 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.5 OUTLIER -145.45 125.63 13.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.51 179.161 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.497 ' HB3' ' CB ' ' A' ' 43' ' ' ASP . 1.2 m80 -113.47 159.97 33.34 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.67 -179.468 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_exo -47.19 -49.88 12.08 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.627 2.218 . . . . 0.0 112.57 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.7 t -156.35 -173.03 4.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.132 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.4 mp -60.98 -43.25 95.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.518 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 21.9 m-80 -51.93 -26.94 11.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.286 0.565 . . . . 0.0 110.088 179.231 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.497 ' CB ' ' HB3' ' A' ' 38' ' ' HIS . 5.1 m-20 -76.98 -41.01 44.74 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.756 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -70.94 -51.31 26.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.271 0.558 . . . . 0.0 109.956 179.406 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.44 HG22 ' CD2' ' A' ' 46' ' ' HIS . 23.9 mt -56.37 -61.8 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.979 179.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.518 ' CD2' ' O ' ' A' ' 42' ' ' ASN . 15.5 m-70 -73.64 -24.99 60.09 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.942 -1.026 . . . . 0.0 111.831 -178.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 m 75.72 73.35 0.09 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.893 0.377 . . . . 0.0 112.008 178.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.444 ' CG2' ' HA ' ' A' ' 43' ' ' ASP . 30.8 p -89.34 -154.22 0.3 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.049 178.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 12.7 t-160 -39.18 -56.73 1.44 Allowed 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.918 0.39 . . . . 0.0 111.45 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.45 ' HA2' ' CD2' ' A' ' 38' ' ' HIS . . . 57.39 99.13 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.719 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.428 ' HB3' ' CD1' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -79.2 137.79 37.57 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.781 0.324 . . . . 0.0 111.108 -179.888 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.425 ' HB2' ' CE1' ' A' ' 34' ' ' PHE . 1.1 pt-20 -130.56 133.05 45.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.487 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.529 ' CE ' ' CG ' ' A' ' 102' ' ' TRP . 0.7 OUTLIER -118.36 122.49 42.98 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.591 -179.619 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.66 131.95 52.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.416 179.65 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.428 ' HA ' ' OG1' ' A' ' 58' ' ' THR . 14.4 mt -95.07 23.86 5.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.347 -179.565 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.15 -56.31 3.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.781 0.324 . . . . 0.0 110.82 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -121.0 53.54 1.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.992 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.428 ' OG1' ' HA ' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -106.93 161.96 14.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 179.911 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.97 165.44 23.14 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.826 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.9 m . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.593 179.841 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.509 ' CE1' ' CD2' ' A' ' 109' ' ' PHE . 4.6 m-85 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 121.011 0.434 . . . . 0.0 111.23 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.404 ' HB3' ' HE1' ' A' ' 103' ' ' HIS . 26.0 mt-10 -146.63 132.78 19.35 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.458 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -128.47 148.79 50.75 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.89 0.376 . . . . 0.0 111.608 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.426 ' CD2' ' HB2' ' A' ' 103' ' ' HIS . 3.6 mt -110.74 142.84 42.14 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.978 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.532 ' HB ' ' HB2' ' A' ' 102' ' ' TRP . 10.3 mm -115.33 108.49 25.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.254 179.419 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 99.6 t -98.56 128.51 50.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.993 0.425 . . . . 0.0 111.655 -179.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.47 -174.08 3.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.285 179.333 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 25.8 t -83.63 -20.2 34.09 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.2 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.5 t -100.21 24.11 9.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.857 0.361 . . . . 0.0 111.044 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 83.79 -20.53 11.83 Favored Glycine 0 CA--C 1.52 0.385 0 C-N-CA 120.657 -0.782 . . . . 0.0 113.292 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -48.51 124.99 8.97 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 117.1 0.45 . . . . 0.0 110.756 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' A' ' 94' ' ' ILE . 10.9 m -125.08 114.83 19.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.044 0.45 . . . . 0.0 111.833 -179.304 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.64 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 35.7 m0 -96.74 109.08 21.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.385 178.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.566 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.8 OUTLIER -99.11 116.5 31.48 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.731 179.341 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.589 ' CZ ' ' HB3' ' A' ' 102' ' ' TRP . 15.3 m-85 -125.47 160.17 30.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.361 0.6 . . . . 0.0 112.044 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.459 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 0.1 OUTLIER -127.68 105.79 8.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.56 178.655 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -52.75 127.94 24.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.67 -179.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.65 -27.55 62.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.748 179.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.57 159.12 24.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.537 179.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.509 ' CD2' ' CE1' ' A' ' 90' ' ' PHE . 2.5 m-30 -65.8 -55.66 15.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.051 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -64.43 -32.54 74.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.057 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -56.51 -42.6 78.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.321 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.416 ' HD3' ' CD2' ' A' ' 90' ' ' PHE . 2.1 ttp85 -56.85 -49.73 74.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.777 0.322 . . . . 0.0 111.097 -179.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -62.66 -40.79 98.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.454 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.43 ' CB ' ' CE ' ' A' ' 6' ' ' LYS . . . -59.41 -53.4 58.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.201 179.215 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.59 ' CH2' ' O ' ' A' ' 6' ' ' LYS . 45.4 m95 -56.5 -50.57 71.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.625 178.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.402 HG22 ' CZ ' ' A' ' 112' ' ' ARG . 60.5 t -57.06 -35.4 47.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.798 179.654 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.31 -33.89 49.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.578 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.537 ' HB2' ' HD3' ' A' ' 6' ' ' LYS . . . -67.42 -44.74 78.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.973 0.416 . . . . 0.0 110.29 179.393 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.443 ' CD1' HD22 ' A' ' 29' ' ' LEU . 1.6 mp -62.85 -50.93 77.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.736 178.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -65.33 -32.72 74.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.049 179.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 28.2 t -67.65 -44.06 78.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.505 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 66.7 mm-40 -64.19 -31.93 73.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.428 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 119' ' ' ILE . 21.5 mt -68.98 -44.42 81.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.099 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.9 tt -64.72 -36.5 84.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.617 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.33 -31.16 57.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.95 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 4.5 m . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.968 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 10.6 mt . . . . . 0 N--CA 1.455 -0.175 0 CA-C-O 120.557 0.217 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -58.75 127.72 25.49 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.302 2.001 . . . . 0.0 112.283 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.492 ' N ' ' O ' ' A' ' 29' ' ' LEU . 18.4 mm -93.27 -19.72 6.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.275 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.612 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 0.0 OUTLIER 175.87 110.52 0.02 OUTLIER 'General case' 0 C--O 1.216 -0.705 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.122 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -131.31 114.64 15.26 Favored 'General case' 0 C--N 1.312 -1.039 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.577 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.25 -175.15 1.88 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.313 -179.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.406 ' CE1' HD13 ' A' ' 41' ' ' ILE . 3.8 m-85 -81.85 131.82 35.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.235 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.435 ' HB2' ' CG2' ' A' ' 27' ' ' VAL . 4.5 mp -125.27 153.66 42.88 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.341 179.585 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.478 ' HG ' ' CB ' ' A' ' 22' ' ' TRP . 1.5 tp -90.52 132.1 35.88 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.21 179.365 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.418 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.1 OUTLIER -118.48 110.41 17.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.127 -179.391 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.441 ' HB3' ' CE2' ' A' ' 22' ' ' TRP . 3.2 ptt180 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.953 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.45 ' HD3' ' CZ2' ' A' ' 22' ' ' TRP . 18.5 mttt . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 121.145 0.497 . . . . 0.0 111.23 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -163.55 98.3 0.89 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.772 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.522 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 3.2 m95 -94.08 128.12 40.29 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.31 -178.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.88 160.12 15.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.302 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.0 mmtm -63.01 122.59 16.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.956 0.408 . . . . 0.0 110.734 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.3 tptt -122.21 179.78 4.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.713 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.52 ' CE1' ' CG ' ' A' ' 44' ' ' TYR . 46.7 t80 -139.27 115.1 10.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.245 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.437 ' HB ' ' CH2' ' A' ' 115' ' ' TRP . 2.0 t -122.7 147.53 26.85 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.316 0 CA-C-O 120.973 0.416 . . . . 0.0 111.808 -179.18 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 91.5 m -138.81 110.52 7.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.032 177.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.554 ' HB2' ' CZ3' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -89.44 115.57 26.98 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 177.822 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 29.0 t -105.47 160.77 14.89 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.028 0.442 . . . . 0.0 111.383 -178.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.4 t -76.19 2.24 13.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.278 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -89.84 26.12 1.89 Allowed 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.748 0.308 . . . . 0.0 111.357 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 53.61 39.88 61.67 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.659 -0.782 . . . . 0.0 111.699 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.445 ' CE1' ' HB3' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -138.94 127.73 23.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.09 0.471 . . . . 0.0 111.359 -179.423 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.67 ' HG ' ' CZ3' ' A' ' 102' ' ' TRP . 1.6 tp -105.46 116.96 32.83 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.519 179.042 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.411 ' CD2' ' CG ' ' A' ' 52' ' ' GLU . 0.5 OUTLIER -112.83 147.66 36.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.048 0.451 . . . . 0.0 111.569 -179.002 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.466 ' CE1' ' CB ' ' A' ' 51' ' ' LYS . 0.3 OUTLIER -156.07 129.87 8.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.484 179.251 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.482 ' CD2' ' HA2' ' A' ' 50' ' ' GLY . 0.1 OUTLIER -120.03 158.39 50.43 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.737 -179.478 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -48.5 -42.02 35.76 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.715 2.276 . . . . 0.0 112.478 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 25.0 t -155.84 -172.43 4.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.811 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.406 HD13 ' CE1' ' A' ' 9' ' ' PHE . 3.2 mp -66.68 -43.25 90.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.799 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.497 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 43.6 m-80 -52.04 -28.34 16.9 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.289 0.566 . . . . 0.0 110.116 179.12 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.404 ' CB ' ' HB3' ' A' ' 38' ' ' HIS . 1.3 m-20 -76.9 -39.09 52.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.776 179.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.52 ' CG ' ' CE1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -70.49 -51.23 30.5 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.205 0.526 . . . . 0.0 110.177 179.511 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.431 HG13 ' CD2' ' A' ' 44' ' ' TYR . 21.5 mt -59.57 -62.17 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.195 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.497 ' CD2' ' O ' ' A' ' 42' ' ' ASN . 13.8 m-70 -73.53 -24.59 60.16 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.798 -1.092 . . . . 0.0 112.231 -178.497 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.402 ' HA ' ' O ' ' A' ' 43' ' ' ASP . 1.8 m 77.72 74.21 0.06 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.896 0.379 . . . . 0.0 111.316 179.573 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 34.7 p -118.95 119.68 35.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 71.78 -59.84 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.541 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.482 ' HA2' ' CD2' ' A' ' 38' ' ' HIS . . . 45.29 90.06 0.01 OUTLIER Glycine 0 N--CA 1.453 -0.189 0 CA-C-N 115.466 -0.788 . . . . 0.0 113.219 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.466 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -80.54 130.29 35.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.735 0.302 . . . . 0.0 110.608 179.615 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.445 ' HB3' ' CE1' ' A' ' 34' ' ' PHE . 2.6 mt-10 -125.34 147.5 49.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.084 0.468 . . . . 0.0 110.953 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.582 ' HE3' ' CD2' ' A' ' 102' ' ' TRP . 0.6 OUTLIER -130.87 116.07 17.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.754 -179.741 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.4 p-10 -56.77 125.62 23.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.395 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.434 ' O ' ' HA ' ' A' ' 123' ' ' ILE . 80.9 mt -93.74 33.05 1.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.533 -179.403 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.31 -53.69 5.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.834 0.35 . . . . 0.0 110.761 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.78 54.46 1.93 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.691 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.74 162.01 13.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.789 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.96 173.81 9.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.434 ' HA ' ' O ' ' A' ' 93' ' ' LEU . 22.1 t . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.649 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.498 ' CZ ' ' CD2' ' A' ' 109' ' ' PHE . 4.2 m-85 . . . . . 0 CA--C 1.527 0.072 0 CA-C-O 120.898 0.38 . . . . 0.0 111.31 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.406 ' HB3' ' HE1' ' A' ' 103' ' ' HIS . 15.9 mp0 -151.05 139.25 20.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.253 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -133.38 145.63 50.51 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.96 0.409 . . . . 0.0 111.323 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.438 ' HG ' ' CG ' ' A' ' 103' ' ' HIS . 0.8 OUTLIER -109.11 139.67 43.7 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.072 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.47 ' O ' ' HA ' ' A' ' 101' ' ' THR . 12.2 mm -110.31 108.46 25.48 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.09 179.543 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 87.3 t -103.38 134.66 43.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.219 0.533 . . . . 0.0 112.169 -179.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.41 ' OG ' ' N ' ' A' ' 97' ' ' SER . 0.1 OUTLIER -102.38 179.27 4.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.45 -0.796 . . . . 0.0 109.871 178.825 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.41 ' N ' ' OG ' ' A' ' 96' ' ' SER . 0.0 OUTLIER -80.74 -6.45 58.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.68 -0.236 . . . . 0.0 111.513 -179.808 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 11.3 t -108.22 22.26 16.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.991 0.424 . . . . 0.0 111.212 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 82.69 -21.21 7.83 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 120.732 -0.747 . . . . 0.0 113.272 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -52.05 123.39 10.37 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.954 0.377 . . . . 0.0 110.721 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.47 ' HA ' ' O ' ' A' ' 94' ' ' ILE . 8.8 m -127.83 114.68 17.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.973 0.416 . . . . 0.0 111.597 -179.498 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.67 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 35.7 m0 -97.71 108.02 20.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.31 178.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.522 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.8 OUTLIER -97.78 116.3 29.72 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.718 179.357 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.572 ' CZ ' ' HB3' ' A' ' 102' ' ' TRP . 19.0 m-85 -123.27 166.93 14.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.307 0.575 . . . . 0.0 111.638 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.409 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 0.4 OUTLIER -132.23 106.18 7.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.953 179.087 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -52.39 127.94 23.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.649 -179.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.31 -27.47 67.35 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.739 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.21 158.58 29.11 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.678 179.726 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.498 ' CD2' ' CZ ' ' A' ' 90' ' ' PHE . 2.7 m-85 -66.16 -43.27 87.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.038 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -73.48 -32.82 64.51 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.009 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -61.05 -39.26 89.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.183 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 -56.76 -49.47 75.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.133 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.26 -47.3 84.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.962 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -53.28 -52.39 59.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.742 0.306 . . . . 0.0 110.573 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.612 ' CH2' ' O ' ' A' ' 6' ' ' LYS . 52.3 m95 -56.6 -52.29 65.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.973 179.088 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 66.7 t -55.35 -36.53 40.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.928 0.394 . . . . 0.0 110.302 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -78.79 -29.41 44.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.517 179.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.404 ' CB ' ' CG2' ' A' ' 5' ' ' ILE . . . -67.21 -48.42 67.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.169 0.509 . . . . 0.0 110.393 179.469 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.422 HG13 HD22 ' A' ' 29' ' ' LEU . 3.1 mp -63.79 -49.84 80.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.113 179.232 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -64.04 -32.7 74.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.943 0.401 . . . . 0.0 110.207 179.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.8 m -64.93 -44.42 89.53 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.774 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.406 ' NE2' HG13 ' A' ' 5' ' ' ILE . 0.8 OUTLIER -68.33 -33.07 73.64 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.678 179.872 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.434 ' HA ' ' O ' ' A' ' 55' ' ' LEU . 20.2 mt -74.18 -36.51 43.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.785 179.509 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.75 -35.04 76.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.657 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.4 -33.6 58.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.95 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.991 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.414 ' CG2' ' HD2' ' A' ' 4' ' ' PRO . 15.0 mt . . . . . 0 N--CA 1.457 -0.121 0 CA-C-O 120.498 0.189 . . . . 0.0 110.813 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.414 ' HD2' ' CG2' ' A' ' 3' ' ' ILE . 36.2 Cg_endo -65.91 127.08 17.03 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.348 2.032 . . . . 0.0 112.332 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.517 ' N ' ' O ' ' A' ' 29' ' ' LEU . 29.1 mm -90.06 -20.55 6.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.183 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.618 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 0.0 OUTLIER 178.98 110.54 0.03 OUTLIER 'General case' 0 C--O 1.216 -0.677 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.04 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.409 ' HA ' ' HA ' ' A' ' 28' ' ' THR . 10.7 pt20 -131.17 111.67 12.16 Favored 'General case' 0 C--N 1.312 -1.043 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.705 179.43 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.3 m -168.48 -175.1 2.4 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.415 ' CE1' HD12 ' A' ' 41' ' ' ILE . 1.5 m-85 -79.34 132.21 36.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.064 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.44 ' HB2' ' CG2' ' A' ' 27' ' ' VAL . 4.5 mp -126.6 146.88 49.99 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.598 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.433 ' CD2' ' HB2' ' A' ' 22' ' ' TRP . 1.1 mp -81.9 135.81 35.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.15 179.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.24 114.81 16.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.945 0.403 . . . . 0.0 111.234 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.442 ' CB ' ' HD2' ' A' ' 20' ' ' LYS . 11.6 ptt180 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.183 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.443 ' HA ' ' HD3' ' A' ' 20' ' ' LYS . 6.9 mmtt . . . . . 0 C--O 1.23 0.079 0 CA-C-O 121.036 0.446 . . . . 0.0 111.491 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -164.32 98.01 0.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.196 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.56 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 3.2 m95 -98.5 126.95 44.24 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.218 -179.261 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.6 152.56 18.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.588 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.01 111.93 2.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.748 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.77 -174.06 2.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.776 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.503 ' CE1' ' CG ' ' A' ' 44' ' ' TYR . 50.8 t80 -141.27 117.16 10.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.515 -179.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.44 ' CG2' ' HB2' ' A' ' 10' ' ' LEU . 2.0 t -124.88 147.92 29.4 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.31 0 CA-C-O 120.961 0.41 . . . . 0.0 111.751 -179.491 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.409 ' HA ' ' HA ' ' A' ' 7' ' ' GLN . 87.4 m -138.83 110.98 7.33 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.863 177.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.571 ' HB2' ' CZ3' ' A' ' 115' ' ' TRP . 0.1 OUTLIER -88.98 115.88 26.86 Favored 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 178.19 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.9 t -104.05 162.58 13.04 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.917 0.389 . . . . 0.0 111.402 -178.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.6 t -80.51 4.36 18.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.18 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -91.63 26.25 2.4 Favored 'General case' 0 CA--C 1.522 -0.112 0 CA-C-O 120.805 0.336 . . . . 0.0 111.283 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 54.63 37.25 60.63 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.51 -0.853 . . . . 0.0 111.545 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.434 ' CE2' ' HB2' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -139.46 133.86 31.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.994 0.426 . . . . 0.0 111.373 -179.536 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.603 ' HG ' ' CZ3' ' A' ' 102' ' ' TRP . 1.3 tp -113.98 117.0 30.11 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.856 179.053 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -112.96 151.34 30.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.058 -179.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.426 ' CD1' ' HB2' ' A' ' 51' ' ' LYS . 0.2 OUTLIER -158.7 136.32 10.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.716 179.549 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.485 ' CD2' ' HA2' ' A' ' 50' ' ' GLY . 0.2 OUTLIER -118.58 160.27 40.73 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.852 -179.684 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.07 -34.95 70.36 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.584 2.19 . . . . 0.0 112.299 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.23 179.58 8.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.676 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.415 HD12 ' CE1' ' A' ' 9' ' ' PHE . 3.3 mp -61.7 -43.98 98.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.868 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.507 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 9.5 m-20 -51.88 -28.6 16.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.4 0.619 . . . . 0.0 110.127 179.185 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.44 ' CB ' ' HB3' ' A' ' 38' ' ' HIS . 1.4 m-20 -76.96 -39.38 50.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.748 179.534 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.503 ' CG ' ' CE1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -70.57 -51.28 29.48 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.268 0.556 . . . . 0.0 110.199 179.528 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.435 HG22 ' CD2' ' A' ' 46' ' ' HIS . 22.2 mt -58.75 -61.8 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.132 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.507 ' CD2' ' O ' ' A' ' 42' ' ' ASN . 14.0 m-70 -73.52 -24.52 60.16 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.797 -1.092 . . . . 0.0 112.075 -178.693 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.402 ' CB ' ' O ' ' A' ' 46' ' ' HIS . 4.2 t 78.61 74.95 0.05 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.881 0.372 . . . . 0.0 111.557 179.29 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 41.7 p -121.18 116.01 24.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 179.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.42 ' CE1' ' HE3' ' A' ' 51' ' ' LYS . 0.7 OUTLIER 75.8 -61.24 0.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.412 -179.644 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.485 ' HA2' ' CD2' ' A' ' 38' ' ' HIS . . . 43.24 88.39 0.01 OUTLIER Glycine 0 N--CA 1.453 -0.208 0 CA-C-N 115.409 -0.814 . . . . 0.0 113.298 179.46 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.426 ' HB2' ' CD1' ' A' ' 37' ' ' TYR . 0.4 OUTLIER -74.6 159.06 32.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.754 0.311 . . . . 0.0 110.519 179.561 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.46 ' HA ' ' O ' ' A' ' 35' ' ' LEU . 4.0 pt-20 -161.75 154.02 19.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.984 0.421 . . . . 0.0 110.893 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.56 ' HE2' ' CE2' ' A' ' 102' ' ' TRP . 7.2 ptp -142.66 152.9 42.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.247 -179.587 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.17 124.22 29.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.815 178.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.444 ' O ' ' HA ' ' A' ' 123' ' ' ILE . 8.6 mt -90.15 22.41 3.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.687 -179.345 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.6 tt -83.19 -40.86 19.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.722 0.296 . . . . 0.0 110.916 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 30.1 mtp85 -130.83 43.95 3.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.035 0.445 . . . . 0.0 110.955 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.406 ' OG1' ' HA ' ' A' ' 55' ' ' LEU . 0.6 OUTLIER -92.15 161.9 14.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.985 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.41 165.28 24.64 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.456 179.541 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.406 ' HA ' ' O ' ' A' ' 93' ' ' LEU . 2.7 m . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.735 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.567 ' CD1' ' N ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.935 0.398 . . . . 0.0 111.031 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -143.49 129.99 20.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.364 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.419 ' CE1' HD13 ' A' ' 94' ' ' ILE . 13.5 p90 -125.34 147.04 49.3 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.994 0.426 . . . . 0.0 111.319 -179.553 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.406 ' O ' ' HA ' ' A' ' 60' ' ' VAL . 5.6 mt -107.11 140.26 40.22 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.654 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.443 HD12 HG23 ' A' ' 94' ' ' ILE . 11.4 mm -116.69 112.29 38.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.869 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 62.0 t -102.77 127.65 56.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.853 0.359 . . . . 0.0 111.421 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 36.9 t -89.7 -175.29 4.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.472 179.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.8 t -82.0 -12.98 58.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.372 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.1 t -102.89 24.51 10.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.852 0.358 . . . . 0.0 111.155 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 77.73 -8.47 35.41 Favored Glycine 0 CA--C 1.521 0.426 0 C-N-CA 120.764 -0.731 . . . . 0.0 113.46 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.79 141.51 55.14 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 117.267 0.534 . . . . 0.0 110.529 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 4.3 m -134.93 114.88 12.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.95 0.405 . . . . 0.0 111.665 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.603 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 33.7 m0 -101.21 105.68 16.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.572 179.233 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.56 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.8 OUTLIER -91.26 116.34 28.75 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.556 -0.457 . . . . 0.0 110.275 179.136 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.534 ' CZ ' ' HB3' ' A' ' 102' ' ' TRP . 21.8 m-85 -123.01 161.19 24.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.395 0.617 . . . . 0.0 112.003 -179.537 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.444 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 34.1 tt0 -131.8 104.27 6.79 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.21 -0.905 . . . . 0.0 109.66 178.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.419 ' CB ' ' CA ' ' A' ' 112' ' ' ARG . . . -49.35 126.02 12.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.866 -179.09 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.96 -31.38 72.47 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.315 179.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -119.29 146.65 45.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.445 179.425 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.557 ' CE1' ' CD1' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -61.01 -34.38 74.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.319 -179.564 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -73.72 -32.66 64.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.929 0.395 . . . . 0.0 110.841 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -71.3 -34.35 70.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.385 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.419 ' CA ' ' CB ' ' A' ' 106' ' ' ALA . 0.0 OUTLIER -56.8 -42.38 79.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.723 0.297 . . . . 0.0 110.957 -179.636 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -74.65 -46.53 37.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.583 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 118' ' ' ALA . . . -52.71 -52.79 54.63 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.29 179.432 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.618 ' CH2' ' O ' ' A' ' 6' ' ' LYS . 52.8 m95 -56.76 -55.48 33.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.853 179.008 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 75.6 t -54.06 -34.81 27.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 CA-C-O 121.072 0.463 . . . . 0.0 110.056 179.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.492 ' HA ' ' HG2' ' A' ' 120' ' ' GLU . 10.1 mt-30 -79.09 -27.8 42.98 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.26 178.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 114' ' ' ALA . . . -71.57 -42.81 67.34 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.448 179.508 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 2.7 mp -67.01 -49.31 74.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.256 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.492 ' HG2' ' HA ' ' A' ' 117' ' ' GLN . 12.6 pt-20 -66.16 -32.68 74.26 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.904 0.383 . . . . 0.0 110.17 179.139 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 9.8 t -64.2 -41.48 97.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.309 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -67.85 -34.23 76.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.393 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.444 ' HA ' ' O ' ' A' ' 55' ' ' LEU . 12.3 mt -70.46 -37.67 71.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.967 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 10.0 tp -68.56 -39.33 81.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.3 -29.16 57.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.043 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.048 -179.921 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 21.0 mm . . . . . 0 N--CA 1.456 -0.147 0 CA-C-O 120.595 0.236 . . . . 0.0 110.807 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -70.22 127.88 14.83 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.589 2.193 . . . . 0.0 112.393 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.469 ' N ' ' O ' ' A' ' 29' ' ' LEU . 1.4 mp -91.91 -19.81 6.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.018 179.526 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.604 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 0.0 OUTLIER -178.44 110.1 0.06 Allowed 'General case' 0 C--O 1.219 -0.54 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.044 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -131.61 116.2 17.08 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-O 120.867 0.365 . . . . 0.0 110.242 178.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.8 p -171.12 -175.98 1.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.383 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.456 ' CE1' ' CG1' ' A' ' 41' ' ' ILE . 2.2 m-30 -80.83 122.53 27.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.156 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.485 ' HB2' ' CG2' ' A' ' 27' ' ' VAL . 4.7 mp -115.62 156.51 25.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.424 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.43 ' O ' ' HA ' ' A' ' 104' ' ' PHE . 1.2 tp -94.86 130.38 41.47 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.361 179.325 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.459 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.1 OUTLIER -113.3 112.43 23.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.887 0.375 . . . . 0.0 110.924 -179.678 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.8 ttp180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.876 179.805 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 121.02 0.438 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -177.45 102.57 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.11 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.568 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 3.3 m95 -105.1 150.58 24.89 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.44 -179.019 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.63 153.12 38.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.491 179.564 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.17 120.87 12.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.907 0.384 . . . . 0.0 111.08 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.454 ' HE2' ' CE2' ' A' ' 37' ' ' TYR . 4.4 mmmm -126.62 166.77 16.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.409 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.485 ' CE1' ' CG ' ' A' ' 44' ' ' TYR . 47.6 t80 -123.26 115.28 21.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.609 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.485 ' CG2' ' HB2' ' A' ' 10' ' ' LEU . 1.9 t -119.82 149.3 22.5 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.336 0 CA-C-O 121.053 0.454 . . . . 0.0 111.515 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 93.6 m -138.67 121.36 16.36 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.121 177.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.49 ' HB2' ' CZ3' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -99.65 113.16 25.42 Favored 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 178.206 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.5 t -103.09 164.08 11.83 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.138 0.494 . . . . 0.0 111.364 -178.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.434 ' CA ' HD13 ' A' ' 5' ' ' ILE . 6.6 t -80.55 4.84 17.09 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.178 179.61 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -92.99 26.06 2.96 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.751 0.31 . . . . 0.0 111.153 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 53.16 41.42 61.0 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.681 -0.771 . . . . 0.0 111.951 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.414 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -139.26 126.86 21.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.007 0.432 . . . . 0.0 111.513 -179.397 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.67 ' HG ' ' CZ3' ' A' ' 102' ' ' TRP . 1.6 tp -106.43 117.22 33.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.664 179.068 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.48 144.55 43.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.017 0.437 . . . . 0.0 111.64 -179.095 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.454 ' CE2' ' HE2' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -150.1 125.14 9.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.403 179.175 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.464 ' HB3' ' CB ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -114.98 161.78 27.42 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.76 -179.184 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -47.4 -51.8 8.98 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.667 2.245 . . . . 0.0 112.731 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.32 -171.49 3.93 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.098 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.456 ' CG1' ' CE1' ' A' ' 9' ' ' PHE . 3.2 mp -64.28 -41.32 92.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.954 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.511 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 1.5 m120 -51.83 -27.17 11.63 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.349 0.595 . . . . 0.0 110.004 179.179 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.464 ' CB ' ' HB3' ' A' ' 38' ' ' HIS . 3.5 m-20 -76.85 -41.2 44.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.827 179.625 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.485 ' CG ' ' CE1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -70.35 -51.15 32.07 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.31 0.576 . . . . 0.0 110.103 179.417 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.436 HG23 ' CD2' ' A' ' 46' ' ' HIS . 25.0 mt -57.09 -61.9 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.36 -0.837 . . . . 0.0 111.024 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.511 ' CD2' ' O ' ' A' ' 42' ' ' ASN . 15.3 m-70 -73.6 -24.86 60.11 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.902 -178.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.9 m 75.12 72.57 0.09 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.973 0.415 . . . . 0.0 111.907 178.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.438 ' CG2' ' HA ' ' A' ' 43' ' ' ASP . 30.1 p -89.51 -153.58 0.28 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.059 -0.518 . . . . 0.0 109.902 178.649 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -38.07 -57.2 1.08 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.942 0.401 . . . . 0.0 111.212 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.455 ' CA ' ' CD2' ' A' ' 38' ' ' HIS . . . 55.36 97.45 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.39 0 CA-C-N 115.908 -0.587 . . . . 0.0 113.017 179.476 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.438 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . 1.7 mmtp -70.34 149.59 47.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.637 0.256 . . . . 0.0 110.805 179.692 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.414 ' HB3' ' CE2' ' A' ' 34' ' ' PHE . 10.7 mt-10 -140.45 133.28 29.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.024 0.44 . . . . 0.0 110.835 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.54 ' CE ' ' CG ' ' A' ' 102' ' ' TRP . 0.6 OUTLIER -121.04 119.0 31.23 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.398 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.8 128.91 39.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.382 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.424 ' O ' ' HA ' ' A' ' 123' ' ' ILE . 17.0 mt -93.7 30.3 1.82 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.484 -179.334 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.39 -61.63 1.79 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.78 0.324 . . . . 0.0 110.888 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -118.95 47.5 1.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.783 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.419 ' OG1' ' HA ' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -94.58 162.08 13.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.091 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.27 170.9 12.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.582 179.633 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.413 ' HA ' ' O ' ' A' ' 93' ' ' LEU . 5.0 m . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.648 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.502 ' CG ' ' HG2' ' A' ' 112' ' ' ARG . 82.5 m-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.014 0.435 . . . . 0.0 111.697 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.525 ' HB3' ' HE1' ' A' ' 103' ' ' HIS . 3.9 mp0 -143.93 129.92 19.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.028 179.477 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.438 ' CE2' HD11 ' A' ' 94' ' ' ILE . 2.8 p90 -129.84 137.81 50.65 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.984 0.421 . . . . 0.0 111.39 -179.668 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.413 ' O ' ' HA ' ' A' ' 60' ' ' VAL . 0.7 OUTLIER -106.02 143.37 34.25 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.203 -179.616 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.512 ' HB ' ' HB2' ' A' ' 102' ' ' TRP . 19.3 mm -112.38 108.65 26.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.626 179.703 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 92.5 t -101.06 130.51 50.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.96 0.409 . . . . 0.0 111.632 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.6 -174.17 3.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.249 179.352 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 p -83.39 -19.22 36.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.255 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.0 t -100.03 23.9 9.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.867 0.365 . . . . 0.0 111.155 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 83.52 -20.46 11.29 Favored Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.634 -0.793 . . . . 0.0 113.372 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 15.0 tp60 -48.64 123.9 7.5 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 117.146 0.473 . . . . 0.0 110.79 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.459 ' HA ' ' O ' ' A' ' 94' ' ' ILE . 1.3 m -126.27 114.82 18.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.876 0.369 . . . . 0.0 111.839 -179.396 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.67 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 35.4 m0 -98.39 105.61 17.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.151 178.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.568 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.8 OUTLIER -92.32 116.55 29.07 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.676 179.678 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.535 ' CZ ' ' HB3' ' A' ' 102' ' ' TRP . 21.7 m-85 -124.36 159.9 29.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.435 0.635 . . . . 0.0 112.212 -179.606 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.438 ' HB2' ' CE3' ' A' ' 22' ' ' TRP . 1.1 tt0 -124.75 108.22 11.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.1 -0.954 . . . . 0.0 109.771 179.074 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -52.99 119.03 4.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.602 -179.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.72 -37.24 75.71 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.522 179.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.61 139.84 46.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.22 179.357 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.423 ' CG ' ' HE2' ' A' ' 90' ' ' PHE . 6.8 m-30 -56.22 -36.06 68.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.198 -179.581 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -74.37 -37.91 63.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.259 0.552 . . . . 0.0 110.693 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.41 -32.02 71.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.516 -179.547 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.502 ' HG2' ' CG ' ' A' ' 90' ' ' PHE . 2.3 ppt_? -56.72 -40.62 76.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.765 0.317 . . . . 0.0 110.835 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.408 ' N ' ' HG3' ' A' ' 112' ' ' ARG . 2.2 m-20 -74.84 -45.6 42.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.561 179.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -54.08 -52.81 59.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.326 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.604 ' CH2' ' O ' ' A' ' 6' ' ' LYS . 57.5 m95 -57.72 -55.28 36.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.655 178.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 73.4 t -53.32 -36.13 25.78 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-O 120.869 0.366 . . . . 0.0 110.041 179.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -77.29 -29.75 53.89 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.688 178.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.412 ' CB ' ' CG2' ' A' ' 5' ' ' ILE . . . -67.85 -41.82 82.33 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.452 179.379 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.512 HG12 ' O ' ' A' ' 115' ' ' TRP . 2.0 mm -66.75 -51.58 54.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.156 179.404 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -64.78 -32.76 74.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.393 179.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 22.9 t -66.84 -41.48 87.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.538 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 65.0 mm-40 -69.53 -35.93 75.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.379 179.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.424 ' HA ' ' O ' ' A' ' 55' ' ' LEU . 16.0 mt -73.32 -33.15 40.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.71 179.488 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.7 tt -68.52 -37.89 80.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.434 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.36 -30.13 57.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 15.2 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.968 -179.868 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.435 ' CG2' ' HD2' ' A' ' 4' ' ' PRO . 11.9 mt . . . . . 0 N--CA 1.456 -0.14 0 CA-C-O 120.588 0.233 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.435 ' HD2' ' CG2' ' A' ' 3' ' ' ILE . 20.9 Cg_endo -60.92 130.34 32.44 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.332 2.022 . . . . 0.0 112.242 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.416 ' HB ' ' HB3' ' A' ' 29' ' ' LEU . 45.9 mm -91.2 -21.79 6.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.698 179.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.616 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 0.0 OUTLIER 179.95 110.6 0.04 OUTLIER 'General case' 0 C--O 1.218 -0.575 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 179.079 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -127.91 110.68 12.79 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-O 120.936 0.398 . . . . 0.0 110.7 179.679 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.02 -175.21 3.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.89 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.428 ' CE1' ' CG1' ' A' ' 41' ' ' ILE . 2.6 m-85 -84.49 145.51 28.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.956 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.449 ' HB2' ' CG2' ' A' ' 27' ' ' VAL . 6.6 mp -137.19 153.63 50.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.824 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.45 ' CD2' ' HB2' ' A' ' 22' ' ' TRP . 1.0 OUTLIER -87.64 137.66 32.14 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.256 179.38 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.462 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.0 OUTLIER -129.65 123.84 32.21 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.834 0.35 . . . . 0.0 111.427 -179.389 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.45 ' HG3' ' CE2' ' A' ' 22' ' ' TRP . 23.4 mtp180 . . . . . 0 C--N 1.331 -0.216 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.009 179.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.4 mttt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 121.171 0.51 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -172.14 101.1 0.16 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.826 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.509 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 2.8 m95 -98.07 143.63 28.41 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.337 -178.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.9 158.88 28.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.488 179.64 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.86 124.03 20.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.849 0.356 . . . . 0.0 110.815 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -126.58 -174.08 3.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.047 -179.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.433 ' O ' ' HA ' ' A' ' 37' ' ' TYR . 2.0 t80 -137.56 129.39 28.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.221 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.451 ' HB ' ' CH2' ' A' ' 115' ' ' TRP . 1.6 t -137.53 145.78 28.74 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.286 0 CA-C-O 120.995 0.426 . . . . 0.0 111.645 -179.67 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 86.9 m -138.86 110.73 7.2 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.731 177.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.528 ' HB2' ' CZ3' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -89.31 115.78 27.04 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 178.249 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.0 p -100.58 157.44 16.66 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.691 -178.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.3 p -77.48 -1.3 29.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.87 179.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -88.76 26.24 1.57 Allowed 'General case' 0 CA--C 1.521 -0.156 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.219 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.417 ' C ' ' HB2' ' A' ' 55' ' ' LEU . . . 57.09 40.32 91.24 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.398 -0.906 . . . . 0.0 111.206 -179.296 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.43 ' CE1' ' HB2' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -138.28 144.78 40.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.206 0.527 . . . . 0.0 111.7 -179.334 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.628 ' HG ' ' CZ3' ' A' ' 102' ' ' TRP . 2.5 tp -129.25 116.97 19.95 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.703 179.025 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -120.07 136.69 54.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.858 0.361 . . . . 0.0 111.399 -179.256 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.433 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.5 OUTLIER -139.61 136.25 34.16 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.675 179.137 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.478 ' HB3' ' CB ' ' A' ' 43' ' ' ASP . 0.3 OUTLIER -116.49 160.21 37.09 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.925 -179.47 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -48.18 -45.77 24.72 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.725 2.283 . . . . 0.0 112.619 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.2 t -157.11 -170.88 3.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.929 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.428 ' CG1' ' CE1' ' A' ' 9' ' ' PHE . 3.8 mp -64.84 -43.33 96.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.843 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.525 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 1.8 p-10 -51.8 -27.08 11.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.388 0.613 . . . . 0.0 110.053 179.091 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.478 ' CB ' ' HB3' ' A' ' 38' ' ' HIS . 3.8 m-20 -76.75 -39.9 50.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.806 179.571 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -72.14 -51.12 22.82 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.238 0.542 . . . . 0.0 110.091 179.442 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.458 HG22 ' CD2' ' A' ' 46' ' ' HIS . 18.9 mt -56.52 -61.29 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.911 179.607 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.525 ' CD2' ' O ' ' A' ' 42' ' ' ASN . 14.8 m-70 -73.42 -25.0 60.33 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.859 -1.064 . . . . 0.0 111.677 -179.036 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 73.88 71.1 0.11 Allowed 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 178.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.433 ' CG2' ' HA ' ' A' ' 43' ' ' ASP . 30.2 p -84.86 -152.5 0.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 178.57 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -39.21 -56.17 1.54 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.932 0.396 . . . . 0.0 111.185 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.42 ' HA2' ' CD2' ' A' ' 38' ' ' HIS . . . 59.3 98.89 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.909 -0.663 . . . . 0.0 112.804 179.447 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.19 156.77 35.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.695 0.283 . . . . 0.0 110.764 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.43 ' HB2' ' CE1' ' A' ' 34' ' ' PHE . 16.4 pt-20 -158.8 154.62 26.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.755 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.574 ' HE1' ' CE2' ' A' ' 102' ' ' TRP . 7.0 ptp -144.82 151.1 38.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.363 -179.366 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -83.88 120.65 26.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.651 178.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.469 ' O ' ' HA ' ' A' ' 123' ' ' ILE . 2.1 mt -84.99 40.21 0.8 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.646 -179.134 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.68 -61.65 1.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.835 0.35 . . . . 0.0 110.846 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.43 39.43 3.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.803 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.51 161.97 24.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.991 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -133.28 159.28 40.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.573 179.628 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.3 m . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.842 179.853 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.519 ' CD1' ' CD1' ' A' ' 109' ' ' PHE . 3.4 m-85 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.938 0.399 . . . . 0.0 110.79 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -138.94 137.1 36.13 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 -179.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 4.9 p90 -129.5 145.49 51.44 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.992 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.434 ' HG ' ' CG ' ' A' ' 103' ' ' HIS . 0.7 OUTLIER -105.27 150.83 24.81 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.186 -179.626 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.438 ' HB ' ' HB2' ' A' ' 102' ' ' TRP . 7.3 mm -124.33 108.75 21.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.572 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 66.6 t -99.01 122.92 51.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.018 0.437 . . . . 0.0 111.492 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 13.4 p -88.54 -176.31 5.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.345 179.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 27.1 t -85.26 -2.0 57.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.303 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.4 t -112.48 21.07 16.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.91 0.386 . . . . 0.0 111.015 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 80.2 -17.7 9.43 Favored Glycine 0 CA--C 1.52 0.373 0 C-N-CA 120.82 -0.705 . . . . 0.0 113.577 179.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -61.54 119.72 9.15 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 117.289 0.544 . . . . 0.0 110.481 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.435 ' HA ' ' O ' ' A' ' 94' ' ' ILE . 4.7 m -114.54 115.43 27.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.671 -179.411 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.628 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 38.8 m0 -93.67 105.5 17.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.38 179.102 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.509 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.7 OUTLIER -95.78 116.12 28.43 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.366 -0.534 . . . . 0.0 110.174 179.091 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.579 ' CZ ' ' HB3' ' A' ' 102' ' ' TRP . 18.4 m-85 -122.18 164.7 17.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.33 0.586 . . . . 0.0 111.783 -179.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.429 ' HB3' ' CB ' ' A' ' 11' ' ' LEU . 45.1 tt0 -129.56 103.18 6.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.601 178.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -49.64 126.35 13.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.797 -179.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.69 -28.3 68.51 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.498 179.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.99 143.45 51.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.437 179.567 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.519 ' CD1' ' CD1' ' A' ' 90' ' ' PHE . 23.0 m-85 -57.76 -45.65 85.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.148 -179.567 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -61.88 -40.68 96.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.966 0.412 . . . . 0.0 110.533 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.58 -34.37 78.09 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.033 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.409 ' HG3' ' HB3' ' A' ' 90' ' ' PHE . 0.3 OUTLIER -56.78 -49.45 75.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.877 -179.817 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -65.35 -43.0 92.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.375 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.46 -52.56 64.23 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.616 ' CH2' ' O ' ' A' ' 6' ' ' LYS . 50.6 m95 -56.56 -55.83 28.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.664 178.64 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 96.5 t -53.2 -36.58 25.83 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-O 120.914 0.387 . . . . 0.0 110.228 179.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -75.86 -30.14 58.8 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.773 178.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -69.87 -36.62 75.63 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.335 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.535 HG12 ' O ' ' A' ' 115' ' ' TRP . 2.0 mm -68.54 -52.35 37.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.234 179.403 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -65.28 -32.88 74.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.975 0.417 . . . . 0.0 110.221 179.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 29.8 t -65.12 -40.48 94.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.366 179.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -68.98 -32.71 72.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.397 179.452 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.469 ' HA ' ' O ' ' A' ' 55' ' ' LEU . 10.6 mt -72.8 -35.82 50.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.966 179.723 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.2 mp -68.64 -38.48 80.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.533 179.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.36 -27.0 56.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.052 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 39.4 m . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.03 -179.974 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.406 ' CG2' ' HD2' ' A' ' 4' ' ' PRO . 12.8 mm . . . . . 0 N--CA 1.456 -0.152 0 CA-C-O 120.541 0.21 . . . . 0.0 110.546 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.406 ' HD2' ' CG2' ' A' ' 3' ' ' ILE . 26.6 Cg_endo -62.85 127.55 20.8 Favored 'Trans proline' 0 N--CA 1.464 -0.214 0 C-N-CA 122.176 1.917 . . . . 0.0 112.337 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.505 ' N ' ' O ' ' A' ' 29' ' ' LEU . 28.6 mm -91.56 -19.79 6.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.553 -0.748 . . . . 0.0 111.161 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.629 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 4.4 tptt 178.92 110.53 0.03 OUTLIER 'General case' 0 C--O 1.215 -0.74 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.154 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.409 ' HA ' ' HA ' ' A' ' 28' ' ' THR . 12.4 pt20 -130.9 108.99 10.22 Favored 'General case' 0 C--N 1.311 -1.095 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.459 179.39 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 98.1 p -162.82 -174.99 4.17 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.365 -179.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.449 ' CE1' ' CG1' ' A' ' 41' ' ' ILE . 1.0 OUTLIER -80.03 145.0 32.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.106 -179.778 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.524 ' HB2' HG22 ' A' ' 27' ' ' VAL . 8.9 mp -140.24 151.38 45.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.512 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.433 ' CD2' ' HB2' ' A' ' 22' ' ' TRP . 1.1 tp -88.19 134.96 33.65 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 179.114 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.414 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.1 OUTLIER -121.3 111.1 16.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.946 0.403 . . . . 0.0 111.266 -179.399 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.973 179.755 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.529 0.164 0 CA-C-O 120.975 0.417 . . . . 0.0 111.223 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -168.81 99.49 0.39 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.868 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.587 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 2.6 m95 -102.8 139.28 38.59 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.217 -178.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.0 mmtt -115.0 157.75 23.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.531 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.5 mmtp -63.02 122.99 17.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.853 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -124.96 -174.04 2.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.795 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.495 ' CE1' ' CG ' ' A' ' 44' ' ' TYR . 46.6 t80 -144.48 115.04 7.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.496 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.524 HG22 ' HB2' ' A' ' 10' ' ' LEU . 1.3 t -119.63 148.54 22.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.846 0.355 . . . . 0.0 111.589 -179.605 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.409 ' HA ' ' HA ' ' A' ' 7' ' ' GLN . 87.6 m -138.74 111.91 7.99 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.428 178.053 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.565 ' HB2' ' CZ3' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -89.26 117.1 27.98 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 177.774 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.5 t -105.95 164.91 11.59 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.991 0.424 . . . . 0.0 111.458 -178.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.5 t -78.34 1.01 23.27 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.808 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -93.51 26.05 3.19 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 120.744 0.307 . . . . 0.0 111.319 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.405 ' C ' ' HB2' ' A' ' 55' ' ' LEU . . . 55.46 42.29 83.19 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.619 -0.8 . . . . 0.0 111.803 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.421 ' CD1' ' HB2' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -138.82 128.18 24.34 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.159 0.504 . . . . 0.0 111.482 -179.753 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.656 ' HG ' ' CZ3' ' A' ' 102' ' ' TRP . 1.0 OUTLIER -107.92 117.07 33.16 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.599 179.282 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.29 150.52 32.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.915 0.388 . . . . 0.0 111.698 -179.165 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -151.5 129.34 11.66 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.905 179.395 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.468 ' HB3' ' HB3' ' A' ' 43' ' ' ASP . 0.4 OUTLIER -119.69 161.59 37.03 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.574 -179.635 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -48.07 -43.62 30.18 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.658 2.239 . . . . 0.0 112.882 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -160.47 -167.31 1.86 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.936 0.398 . . . . 0.0 111.173 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.449 ' CG1' ' CE1' ' A' ' 9' ' ' PHE . 3.6 mp -66.16 -47.27 85.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.953 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.511 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 8.6 m-80 -51.9 -25.64 8.51 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.26 0.552 . . . . 0.0 110.286 179.22 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.476 ' HB3' ' O ' ' A' ' 48' ' ' THR . 5.5 m-20 -76.79 -42.31 41.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.57 179.644 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.495 ' CG ' ' CE1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -69.13 -51.01 42.68 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.212 0.53 . . . . 0.0 110.14 179.567 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.445 HG21 ' CD2' ' A' ' 46' ' ' HIS . 25.4 mt -58.23 -62.19 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.266 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.511 ' CD2' ' O ' ' A' ' 42' ' ' ASN . 15.3 m-70 -73.52 -24.47 60.15 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.892 -1.049 . . . . 0.0 112.159 -178.535 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.0 t 77.29 74.17 0.07 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.976 0.417 . . . . 0.0 111.228 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.476 ' O ' ' HB3' ' A' ' 43' ' ' ASP . 68.5 p -144.76 117.97 8.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.156 179.288 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 62.8 m80 63.96 88.69 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 -178.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.459 ' HA3' ' CD2' ' A' ' 38' ' ' HIS . . . -141.85 88.97 0.18 Allowed Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.93 -179.515 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.42 ' HB3' ' CZ2' ' A' ' 102' ' ' TRP . 0.0 OUTLIER -68.4 143.13 55.2 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.811 0.338 . . . . 0.0 110.994 -179.559 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.421 ' HB2' ' CD1' ' A' ' 34' ' ' PHE . 8.7 pt-20 -138.05 150.59 47.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.676 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.542 ' CE ' ' CE2' ' A' ' 102' ' ' TRP . 10.0 ptp -135.76 151.39 50.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.206 -179.697 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -76.91 129.46 36.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.989 179.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.405 ' HB2' ' C ' ' A' ' 33' ' ' GLY . 9.1 mt -91.39 25.59 2.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.566 -179.3 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 tt -82.95 -48.39 10.73 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.962 0.411 . . . . 0.0 110.651 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 -123.77 55.59 1.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.428 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.405 HG22 ' HA ' ' A' ' 96' ' ' SER . 0.3 OUTLIER -102.31 161.97 13.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.918 -179.681 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -134.33 168.61 18.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.637 179.72 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 20.8 t . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 179.832 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.442 ' CD2' ' HG2' ' A' ' 112' ' ' ARG . 16.5 m-85 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.837 0.351 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -140.4 136.13 32.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 -179.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.419 ' CD2' HD12 ' A' ' 94' ' ' ILE . 4.1 p90 -132.96 146.74 52.05 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.741 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -107.52 148.88 28.65 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.645 -179.246 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.419 HD12 ' CD2' ' A' ' 92' ' ' PHE . 10.0 mm -123.07 110.27 25.93 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.785 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 56.6 t -99.63 134.51 38.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.006 0.431 . . . . 0.0 111.613 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.405 ' HA ' HG22 ' A' ' 58' ' ' THR . 48.1 t -95.72 -174.09 3.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.528 179.421 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.61 -18.52 44.45 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.315 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.0 t -99.37 24.57 7.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.895 0.378 . . . . 0.0 111.215 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 79.5 -11.35 32.43 Favored Glycine 0 CA--C 1.521 0.438 0 C-N-CA 120.834 -0.698 . . . . 0.0 113.361 179.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -57.22 133.92 55.48 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 117.085 0.442 . . . . 0.0 110.675 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 2.7 m -132.84 114.55 14.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.983 0.421 . . . . 0.0 111.712 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.656 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 41.4 m0 -98.48 105.7 17.88 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.875 179.081 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.587 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.8 OUTLIER -91.02 115.95 28.41 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.293 -0.563 . . . . 0.0 110.004 178.838 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.527 ' CZ ' ' HB3' ' A' ' 102' ' ' TRP . 26.1 m-85 -119.33 161.56 20.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.258 0.551 . . . . 0.0 111.96 -179.338 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.474 ' HB2' ' CE3' ' A' ' 22' ' ' TRP . 0.3 OUTLIER -126.57 102.49 7.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.188 -0.914 . . . . 0.0 109.725 178.794 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -56.73 127.49 31.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.593 -179.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.76 -32.86 74.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.587 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.1 m -114.46 147.31 39.51 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.509 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 10.3 m-30 -66.0 -34.81 78.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.195 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.83 -33.45 64.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.985 0.422 . . . . 0.0 110.898 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.19 -38.92 82.5 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.54 -179.512 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.442 ' HG2' ' CD2' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -56.77 -36.83 70.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.697 0.284 . . . . 0.0 110.834 -179.549 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -74.39 -47.01 36.62 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.496 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 118' ' ' ALA . . . -55.04 -48.68 73.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.228 179.459 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.629 ' CH2' ' O ' ' A' ' 6' ' ' LYS . 56.8 m95 -59.06 -54.97 41.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.835 179.078 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 75.3 t -55.64 -34.5 35.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.916 0.388 . . . . 0.0 110.199 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.412 ' HA ' ' CG ' ' A' ' 120' ' ' GLU . 0.1 OUTLIER -80.75 -27.03 36.94 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.486 179.073 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 114' ' ' ALA . . . -72.14 -43.95 63.88 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 121.1 0.476 . . . . 0.0 110.245 179.347 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 2.5 mp -66.66 -49.62 73.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.121 179.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.412 ' CG ' ' HA ' ' A' ' 117' ' ' GLN . 0.0 OUTLIER -64.81 -32.54 74.28 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 110.113 -0.328 . . . . 0.0 110.113 179.213 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 117' ' ' GLN . 11.5 t -66.44 -45.96 78.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.65 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.411 ' NE2' HG13 ' A' ' 5' ' ' ILE . 0.4 OUTLIER -63.51 -31.77 73.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.496 179.713 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.405 ' HA ' ' O ' ' A' ' 55' ' ' LEU . 20.0 mt -70.51 -38.96 75.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 179.583 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.64 -35.04 76.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.817 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.26 -32.39 58.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.029 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.6 mm . . . . . 0 N--CA 1.455 -0.198 0 CA-C-O 120.563 0.221 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -58.72 125.89 19.62 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.201 1.934 . . . . 0.0 112.246 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.58 ' N ' ' O ' ' A' ' 29' ' ' LEU . 29.0 mm -94.79 -18.73 6.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.506 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.593 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 3.4 tptt 176.77 110.44 0.02 OUTLIER 'General case' 0 C--O 1.22 -0.451 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 179.016 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -131.89 117.46 18.52 Favored 'General case' 0 C--N 1.314 -0.938 0 C-N-CA 120.952 -0.299 . . . . 0.0 110.467 179.512 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.63 -175.06 0.74 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.12 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.465 ' CD1' ' N ' ' A' ' 9' ' ' PHE . 0.8 OUTLIER -79.42 132.41 36.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.871 -179.887 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.423 ' CD2' ' HB3' ' A' ' 104' ' ' PHE . 4.5 mp -126.74 148.72 49.86 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.688 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.428 ' CB ' ' HB3' ' A' ' 105' ' ' GLU . 1.3 tp -87.47 129.89 34.9 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.264 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.404 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.2 OUTLIER -112.36 112.51 24.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.876 0.369 . . . . 0.0 111.183 -179.688 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.13 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.7 mttt . . . . . 0 C--O 1.232 0.163 0 CA-C-O 121.008 0.433 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -173.47 101.63 0.12 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.94 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.602 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 2.7 m95 -100.35 148.64 24.47 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.273 -179.275 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.8 154.11 33.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.728 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.14 116.14 5.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.687 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.82 -174.25 2.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.081 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.42 ' CE1' ' HB2' ' A' ' 44' ' ' TYR . 54.7 t80 -143.47 115.18 8.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.349 -179.615 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.429 ' HB ' ' CH2' ' A' ' 115' ' ' TRP . 2.3 t -122.98 152.78 27.79 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.324 0 CA-C-O 121.174 0.512 . . . . 0.0 111.919 -179.314 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 89.1 m -138.57 124.7 20.2 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.24 177.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.58 ' O ' ' N ' ' A' ' 5' ' ' ILE . 0.2 OUTLIER -105.47 114.23 28.28 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 178.319 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.1 t -106.11 159.46 16.06 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.055 0.455 . . . . 0.0 111.177 -178.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 t -74.73 2.63 9.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.21 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -90.02 26.13 1.94 Allowed 'General case' 0 CA--C 1.523 -0.086 0 CA-C-O 120.748 0.308 . . . . 0.0 111.339 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 52.76 40.37 56.46 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.556 -0.83 . . . . 0.0 111.814 -179.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.428 ' CE1' ' HB2' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -137.94 132.4 32.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.001 0.429 . . . . 0.0 111.589 -179.588 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.615 ' HG ' ' CZ3' ' A' ' 102' ' ' TRP . 1.4 tp -116.04 117.07 29.09 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.801 179.151 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.439 ' HA ' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -119.05 150.73 39.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.828 0.347 . . . . 0.0 111.186 -179.478 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -154.1 137.04 15.42 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.293 0.568 . . . . 0.0 111.31 179.598 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.451 ' HB3' ' HB3' ' A' ' 43' ' ' ASP . 0.5 OUTLIER -120.07 161.93 36.06 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.429 -179.861 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_exo -48.26 -34.67 25.22 Favored 'Trans proline' 0 CA--C 1.529 0.273 0 C-N-CA 122.659 2.24 . . . . 0.0 112.788 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.61 -167.72 0.46 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.885 0.374 . . . . 0.0 111.307 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.461 ' CG1' ' CE1' ' A' ' 9' ' ' PHE . 4.0 mp -65.3 -47.07 88.62 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.491 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 18.8 p-10 -51.59 -27.15 10.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.376 0.607 . . . . 0.0 109.976 179.19 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.504 ' HB3' ' O ' ' A' ' 48' ' ' THR . 5.4 m-20 -76.81 -42.77 39.22 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.734 179.535 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.42 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 0.4 OUTLIER -67.89 -51.08 52.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.237 0.541 . . . . 0.0 110.025 179.642 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.421 HG22 ' CD2' ' A' ' 46' ' ' HIS . 30.5 mt -59.13 -62.76 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.33 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.491 ' CD2' ' O ' ' A' ' 42' ' ' ASN . 16.0 m-70 -73.35 -24.39 60.34 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.904 -1.044 . . . . 0.0 112.369 -178.402 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.5 m 77.96 74.62 0.06 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.029 0.443 . . . . 0.0 111.383 179.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.504 ' O ' ' HB3' ' A' ' 43' ' ' ASP . 72.0 p -144.11 116.78 8.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.125 179.224 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 64.17 88.13 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.778 -0.452 . . . . 0.0 109.778 -178.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.441 ' HA3' ' CD2' ' A' ' 38' ' ' HIS . . . -137.28 86.82 0.23 Allowed Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.759 -179.624 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.454 ' HB3' ' CZ2' ' A' ' 102' ' ' TRP . 0.0 OUTLIER -68.38 153.62 43.4 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.85 0.357 . . . . 0.0 111.126 -179.429 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.428 ' HB2' ' CE1' ' A' ' 34' ' ' PHE . 2.4 pt-20 -153.37 133.33 13.24 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.375 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.541 ' HE3' ' CE2' ' A' ' 102' ' ' TRP . 12.2 ptp -119.99 150.14 41.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.368 -179.608 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.6 p-10 -78.34 124.71 28.41 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 178.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.433 ' O ' ' HA ' ' A' ' 123' ' ' ILE . 0.5 OUTLIER -86.81 32.26 0.67 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -179.12 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.25 -48.06 10.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.92 0.39 . . . . 0.0 110.487 179.532 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -129.25 58.19 1.62 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.327 179.673 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.15 161.94 13.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.092 -179.606 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.02 163.98 23.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.388 179.562 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.415 ' HA ' ' O ' ' A' ' 93' ' ' LEU . 14.6 m . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.946 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.435 ' CD2' ' HD3' ' A' ' 112' ' ' ARG . 2.8 m-85 . . . . . 0 CA--C 1.528 0.131 0 CA-C-O 120.732 0.301 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -151.33 136.43 17.46 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.531 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.43 ' CE1' HD12 ' A' ' 94' ' ' ILE . 9.5 p90 -131.85 148.17 52.53 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.936 0.398 . . . . 0.0 111.295 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.415 ' O ' ' HA ' ' A' ' 60' ' ' VAL . 1.3 mt -111.04 137.92 48.09 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.695 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.43 HD12 ' CE1' ' A' ' 92' ' ' PHE . 12.7 mm -113.76 108.93 26.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.116 -179.669 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 84.5 t -99.84 123.73 52.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.876 0.369 . . . . 0.0 111.384 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.6 t -91.84 171.61 9.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.719 179.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 11.0 t -68.85 -13.64 62.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.368 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.9 p -101.63 24.12 10.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.04 0.448 . . . . 0.0 111.191 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 69.45 6.15 53.09 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.924 -0.655 . . . . 0.0 113.103 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.3 115.47 16.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.995 0.397 . . . . 0.0 110.252 179.577 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 2.7 m -109.83 114.77 28.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.053 0.454 . . . . 0.0 111.637 -179.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.615 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 32.3 m0 -100.28 105.58 17.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.444 179.036 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.602 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.8 OUTLIER -91.78 116.43 28.89 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.173 179.105 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.518 ' CZ ' ' HB3' ' A' ' 102' ' ' TRP . 22.9 m-85 -121.28 162.71 19.77 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.533 0.682 . . . . 0.0 112.384 -179.168 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.465 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 1.0 OUTLIER -131.27 100.34 5.15 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 114.828 -1.078 . . . . 0.0 109.607 179.098 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.4 ' CB ' ' CA ' ' A' ' 112' ' ' ARG . . . -51.57 123.1 9.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.685 -179.371 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.64 -31.89 69.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.666 179.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -114.57 140.62 48.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.48 179.545 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.425 ' HA ' ' CD2' ' A' ' 90' ' ' PHE . 4.1 m-85 -57.72 -39.73 77.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.19 -179.748 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -72.73 -32.77 65.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.773 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -66.71 -36.84 83.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.091 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.435 ' HD3' ' CD2' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -56.46 -49.45 74.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.867 -179.713 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -64.72 -43.84 92.14 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.4 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -55.9 -51.47 67.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.136 179.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.593 ' CH2' ' O ' ' A' ' 6' ' ' LYS . 54.4 m95 -56.6 -55.74 30.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.665 178.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 73.2 t -53.25 -37.17 27.58 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-O 120.891 0.377 . . . . 0.0 110.29 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.28 -29.88 57.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.986 178.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -69.11 -39.4 78.96 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.259 179.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.525 HG12 ' O ' ' A' ' 115' ' ' TRP . 1.4 mm -67.29 -52.02 46.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.118 179.435 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.23 -32.9 74.81 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.312 179.284 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 29.0 t -65.52 -40.86 93.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.681 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -69.68 -32.92 71.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.46 179.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.433 ' HA ' ' O ' ' A' ' 55' ' ' LEU . 19.0 mt -73.05 -38.43 55.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.88 179.627 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 3.3 tt -66.58 -37.24 84.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.532 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.42 -28.12 56.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.984 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.331 -0.2 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.171 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 10.6 mm . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.557 0.218 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -60.29 126.83 21.11 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.438 2.092 . . . . 0.0 112.165 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.444 HD13 ' HB2' ' A' ' 31' ' ' SER . 4.3 mp -92.81 -19.74 6.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.142 179.687 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.615 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 0.3 OUTLIER -177.2 110.35 0.08 Allowed 'General case' 0 C--O 1.216 -0.693 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.03 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.419 ' HA ' ' HA ' ' A' ' 28' ' ' THR . 20.0 pt20 -130.74 112.16 12.82 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-O 120.855 0.36 . . . . 0.0 110.554 179.237 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -164.54 -175.18 3.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.294 -179.573 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.443 ' CE1' ' CG1' ' A' ' 41' ' ' ILE . 3.0 m-85 -86.83 128.69 35.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.201 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.445 ' HB2' ' CG2' ' A' ' 27' ' ' VAL . 7.1 mp -120.49 155.25 33.98 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.169 179.485 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.465 ' CB ' ' HB3' ' A' ' 105' ' ' GLU . 1.3 tp -90.36 136.65 32.92 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.082 179.425 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.421 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.1 OUTLIER -123.08 114.35 20.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.207 -179.404 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.842 179.827 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.052 0 CA-C-O 121.05 0.452 . . . . 0.0 111.036 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -168.7 98.91 0.4 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.863 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.517 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 2.1 m95 -102.37 143.0 32.68 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.246 -178.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.2 mtmt -117.04 161.12 19.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.438 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.13 117.43 6.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.846 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.4 tptt -118.7 178.24 4.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.826 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.51 ' CE1' ' CG ' ' A' ' 44' ' ' TYR . 52.0 t80 -135.79 127.81 29.65 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.325 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.445 ' CG2' ' HB2' ' A' ' 10' ' ' LEU . 1.4 t -136.82 144.52 32.15 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.294 0 CA-C-O 120.9 0.381 . . . . 0.0 111.83 -179.465 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.419 ' HA ' ' HA ' ' A' ' 7' ' ' GLN . 96.1 m -138.78 112.72 8.51 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.931 177.736 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.513 ' HB2' ' CZ3' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -89.31 114.45 25.84 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 178.008 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 42.8 t -102.76 162.28 13.05 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 123.516 0.51 . . . . 0.0 111.251 -178.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.444 ' HB2' HD13 ' A' ' 5' ' ' ILE . 4.7 t -78.5 3.99 14.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.379 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -91.75 26.08 2.5 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.703 0.287 . . . . 0.0 111.317 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 53.04 40.63 58.87 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.584 -0.817 . . . . 0.0 111.701 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.415 ' CE1' ' HB2' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -139.85 123.45 17.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.969 0.414 . . . . 0.0 111.231 -179.384 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.626 ' HG ' ' CZ3' ' A' ' 102' ' ' TRP . 3.1 tp -99.01 117.11 32.8 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 178.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.37 145.76 39.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.965 0.412 . . . . 0.0 111.6 -179.056 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.448 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -155.07 132.64 11.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.422 179.423 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.48 ' CD2' ' HA2' ' A' ' 50' ' ' GLY . 0.2 OUTLIER -120.29 160.74 42.3 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.972 -179.365 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -52.43 -27.73 32.86 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.733 2.288 . . . . 0.0 112.399 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.47 -174.78 1.24 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.815 0.341 . . . . 0.0 110.971 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.443 ' CG1' ' CE1' ' A' ' 9' ' ' PHE . 3.6 mp -63.83 -46.58 93.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.498 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 5.1 m-20 -51.77 -28.24 14.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.258 0.551 . . . . 0.0 110.271 179.309 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.417 ' CB ' ' HB3' ' A' ' 38' ' ' HIS . 1.5 m-20 -76.82 -40.13 48.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.762 179.656 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.51 ' CG ' ' CE1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -70.34 -51.22 31.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.185 0.517 . . . . 0.0 110.171 179.483 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.434 HG23 ' CD2' ' A' ' 46' ' ' HIS . 24.4 mt -58.53 -62.12 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.107 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.498 ' CD2' ' O ' ' A' ' 42' ' ' ASN . 14.8 m-70 -73.5 -24.66 60.2 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.845 -1.071 . . . . 0.0 112.185 -178.548 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.46 ' OG ' ' O ' ' A' ' 47' ' ' SER . 4.5 p 78.24 74.96 0.06 Allowed 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 121.213 0.53 . . . . 0.0 111.397 179.528 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 41.9 p -118.43 117.33 28.74 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.909 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 5.3 m170 72.69 -59.15 0.57 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.755 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.48 ' HA2' ' CD2' ' A' ' 38' ' ' HIS . . . 47.69 91.09 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.238 0 CA-C-N 115.638 -0.71 . . . . 0.0 113.056 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.444 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -83.57 132.8 34.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.629 0.252 . . . . 0.0 110.715 179.79 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.415 ' HB2' ' CE1' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -132.58 133.23 43.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.09 0.471 . . . . 0.0 111.063 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.568 ' CE ' ' CG ' ' A' ' 102' ' ' TRP . 0.1 OUTLIER -115.28 118.98 34.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.32 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -56.55 130.8 46.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.838 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.466 ' O ' ' HA ' ' A' ' 123' ' ' ILE . 23.5 mt -98.32 33.39 2.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.245 -179.703 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.5 tp -83.14 -51.51 7.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.802 0.334 . . . . 0.0 110.822 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 31.9 mtm-85 -131.78 47.22 2.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.593 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -89.48 161.94 15.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.204 -179.641 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.7 172.11 11.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.534 179.587 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.3 t . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.016 179.966 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.492 ' CE2' ' CD1' ' A' ' 109' ' ' PHE . 7.5 m-85 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.858 0.361 . . . . 0.0 111.179 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -139.85 132.86 29.46 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.762 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -123.34 159.8 28.08 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.744 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -120.4 149.18 42.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.02 0.438 . . . . 0.0 111.83 -179.224 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.448 ' HB ' ' HB2' ' A' ' 102' ' ' TRP . 14.1 mm -120.31 108.63 23.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.217 179.57 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 59.8 t -103.59 135.63 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.981 0.42 . . . . 0.0 111.92 -179.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 48.0 t -99.13 -173.98 2.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.258 179.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 28.7 p -88.0 -0.01 56.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.506 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.0 t -114.33 22.61 13.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.991 0.424 . . . . 0.0 110.896 179.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 83.59 -21.15 9.45 Favored Glycine 0 CA--C 1.519 0.317 0 C-N-CA 120.803 -0.713 . . . . 0.0 113.309 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.36 129.07 30.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 117.083 0.441 . . . . 0.0 110.864 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.421 ' HA ' ' O ' ' A' ' 94' ' ' ILE . 2.0 m -131.88 114.84 15.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.885 0.374 . . . . 0.0 111.63 -179.646 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.626 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 35.4 m0 -95.3 105.56 17.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.223 179.025 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.517 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.7 OUTLIER -94.74 116.1 28.32 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.27 -0.572 . . . . 0.0 110.427 179.237 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.531 ' CZ ' ' HB3' ' A' ' 102' ' ' TRP . 20.9 m-85 -121.76 166.01 14.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.212 0.529 . . . . 0.0 111.37 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.465 ' HB3' ' CB ' ' A' ' 11' ' ' LEU . 36.6 tt0 -126.76 107.11 9.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.744 178.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -52.5 121.56 7.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.901 -179.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.27 -30.61 71.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.416 179.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -118.48 147.8 43.25 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.349 179.524 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.492 ' CD1' ' CE2' ' A' ' 90' ' ' PHE . 17.2 m-30 -65.93 -38.35 88.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.284 -179.745 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.71 -37.4 65.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.08 0.467 . . . . 0.0 110.619 179.599 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.51 -35.69 80.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.483 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.62 -40.99 76.32 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.789 0.328 . . . . 0.0 110.937 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.522 ' O ' HG12 ' A' ' 116' ' ' VAL . 26.2 t0 -74.68 -35.57 62.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.616 179.653 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.45 -46.75 81.77 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 179.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.615 ' CH2' ' O ' ' A' ' 6' ' ' LYS . 60.4 m95 -60.64 -53.0 62.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.73 178.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.522 HG12 ' O ' ' A' ' 113' ' ' ASP . 2.4 p -53.82 -37.63 33.41 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-O 121.053 0.454 . . . . 0.0 110.223 179.409 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.485 ' HA ' ' HG2' ' A' ' 120' ' ' GLU . 4.3 mm-40 -77.09 -32.07 56.42 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.269 179.14 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.425 ' CB ' ' CG2' ' A' ' 5' ' ' ILE . . . -65.97 -47.3 75.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.819 179.681 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 2.7 mp -64.38 -48.49 85.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.608 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.485 ' HG2' ' HA ' ' A' ' 117' ' ' GLN . 11.1 pt-20 -68.08 -32.78 73.34 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.317 179.387 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 117' ' ' GLN . 7.6 m -66.0 -38.7 89.14 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.998 0.428 . . . . 0.0 110.21 179.386 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.05 -34.57 75.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.321 179.514 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.466 ' HA ' ' O ' ' A' ' 55' ' ' LEU . 20.0 mt -69.38 -36.97 74.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.003 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 2.1 tp -68.6 -41.36 79.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.728 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -74.23 -28.07 61.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.123 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 89.2 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.93 -179.981 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.403 ' CG2' ' HD2' ' A' ' 4' ' ' PRO . 15.8 mt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.547 0.213 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.403 ' HD2' ' CG2' ' A' ' 3' ' ' ILE . 43.6 Cg_endo -68.46 133.75 28.95 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.508 2.139 . . . . 0.0 112.505 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.429 ' N ' ' O ' ' A' ' 29' ' ' LEU . 44.5 mm -95.0 -21.11 5.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.582 179.404 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.6 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 0.4 OUTLIER -179.95 110.24 0.04 OUTLIER 'General case' 0 C--O 1.217 -0.62 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 178.869 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -128.43 109.84 11.77 Favored 'General case' 0 C--N 1.312 -1.049 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.246 179.63 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.15 -175.05 4.38 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.25 -179.733 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -88.93 125.71 35.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.955 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.452 ' HB2' ' CG2' ' A' ' 27' ' ' VAL . 7.6 mp -115.6 162.97 16.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.449 179.666 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.434 ' CD2' ' HB2' ' A' ' 22' ' ' TRP . 1.1 mp -98.66 141.8 31.02 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.227 179.296 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.446 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.0 OUTLIER -129.37 107.53 9.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.821 0.343 . . . . 0.0 111.097 -179.669 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.415 ' HB3' ' CE2' ' A' ' 22' ' ' TRP . 3.7 ptt180 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.106 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.2 mttt . . . . . 0 C--O 1.232 0.14 0 CA-C-O 121.058 0.456 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -164.32 98.48 0.82 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.821 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.495 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 3.3 m95 -93.65 131.5 38.89 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.35 -178.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.97 155.49 18.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.392 179.612 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.1 mmtp -63.09 121.3 13.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.982 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.7 mmtm -122.95 174.39 7.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.77 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.456 ' CD1' ' HB2' ' A' ' 44' ' ' TYR . 54.5 t80 -130.3 114.93 16.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.386 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.452 ' CG2' ' HB2' ' A' ' 10' ' ' LEU . 1.7 t -121.82 146.35 27.06 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.259 0 CA-C-O 121.047 0.451 . . . . 0.0 111.97 -179.442 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 86.9 m -138.75 111.45 7.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.641 177.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.53 ' HB2' ' CZ3' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -89.31 116.39 27.5 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 178.553 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.6 p -100.19 158.95 15.49 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.928 0.394 . . . . 0.0 111.542 -178.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.7 p -77.55 -0.03 24.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.089 179.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -90.41 26.16 2.04 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-O 120.832 0.348 . . . . 0.0 111.286 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 55.59 42.26 83.94 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.484 -0.865 . . . . 0.0 111.262 -179.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.421 ' CE2' ' HB2' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -137.35 129.77 29.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.935 0.397 . . . . 0.0 111.443 -179.078 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.664 ' HG ' ' CZ3' ' A' ' 102' ' ' TRP . 2.8 tp -109.48 116.94 32.73 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.659 179.079 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -113.99 144.93 42.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.98 0.419 . . . . 0.0 111.566 -179.215 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.408 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -154.32 134.69 13.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.507 179.442 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.478 ' CD2' ' HA2' ' A' ' 50' ' ' GLY . 0.1 OUTLIER -123.01 159.26 54.75 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.894 -179.276 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -50.23 -30.41 25.85 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.776 2.317 . . . . 0.0 112.548 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -172.47 -175.18 1.31 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.063 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.4 mp -62.29 -44.49 99.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.019 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.49 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 1.2 m120 -51.82 -29.39 19.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.262 0.553 . . . . 0.0 109.996 179.372 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.427 ' O ' ' HA ' ' A' ' 47' ' ' SER . 1.8 m-20 -76.98 -37.24 55.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.828 179.429 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.456 ' HB2' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -71.58 -51.37 23.72 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.283 0.563 . . . . 0.0 110.288 179.466 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.423 HG21 ' CD2' ' A' ' 46' ' ' HIS . 15.1 mt -60.29 -61.73 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.097 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.49 ' CD2' ' O ' ' A' ' 42' ' ' ASN . 13.0 m-70 -73.52 -24.6 60.17 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.786 -1.097 . . . . 0.0 112.221 -178.637 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.427 ' HA ' ' O ' ' A' ' 43' ' ' ASP . 4.2 t 76.1 73.16 0.08 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.885 0.374 . . . . 0.0 111.297 179.528 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 49.3 p -118.39 116.56 26.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.92 179.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 76.39 -60.04 0.49 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.516 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.478 ' HA2' ' CD2' ' A' ' 38' ' ' HIS . . . 45.66 90.32 0.01 OUTLIER Glycine 0 N--CA 1.453 -0.181 0 CA-C-N 115.578 -0.737 . . . . 0.0 113.062 179.744 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.9 133.21 35.3 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.724 0.297 . . . . 0.0 110.785 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.421 ' HB2' ' CE2' ' A' ' 34' ' ' PHE . 5.7 pt-20 -132.93 133.28 43.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.108 0.48 . . . . 0.0 110.916 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.548 ' CE ' ' CG ' ' A' ' 102' ' ' TRP . 0.5 OUTLIER -117.42 119.85 36.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.466 -179.742 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -62.15 127.82 33.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.542 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.487 ' O ' ' HA ' ' A' ' 123' ' ' ILE . 0.4 OUTLIER -97.28 40.33 1.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.437 -179.544 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.36 -46.24 12.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.817 0.341 . . . . 0.0 110.948 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.405 ' NH1' ' HB3' ' A' ' 57' ' ' ARG . 4.1 mmm180 -139.72 36.14 2.0 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.728 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.03 157.15 31.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.142 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.02 150.5 42.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.401 179.443 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.2 t . . . . . 0 C--N 1.327 -0.411 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.167 -179.799 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.444 ' CD2' ' HG2' ' A' ' 112' ' ' ARG . 3.0 m-85 . . . . . 0 CA--C 1.528 0.13 0 CA-C-O 120.824 0.345 . . . . 0.0 111.066 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -144.91 132.4 20.84 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -122.0 162.45 21.11 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.962 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -123.77 149.58 45.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.983 0.42 . . . . 0.0 111.541 -179.593 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.502 ' HB ' ' HB2' ' A' ' 102' ' ' TRP . 9.2 mm -120.55 108.68 23.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.378 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 87.6 t -101.21 130.47 50.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.031 0.444 . . . . 0.0 111.629 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.64 -174.06 3.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.258 179.105 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.5 t -82.96 -16.74 46.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.413 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.1 t -102.12 23.87 10.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.896 0.379 . . . . 0.0 111.144 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 82.85 -19.85 10.89 Favored Glycine 0 CA--C 1.52 0.389 0 C-N-CA 120.708 -0.758 . . . . 0.0 113.308 179.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -48.57 123.56 6.91 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 117.15 0.475 . . . . 0.0 110.749 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.426 ' HA ' ' O ' ' A' ' 94' ' ' ILE . 1.3 m -125.36 114.56 19.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.027 0.442 . . . . 0.0 111.887 -179.386 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.664 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 33.7 m0 -97.79 106.95 19.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.182 178.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.495 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.8 OUTLIER -97.09 116.54 29.47 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.523 179.255 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.574 ' CZ ' ' HB3' ' A' ' 102' ' ' TRP . 17.9 m-85 -123.72 164.74 18.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.372 0.606 . . . . 0.0 111.896 -179.777 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.447 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 36.4 tt0 -129.8 106.56 8.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.153 -0.931 . . . . 0.0 109.722 178.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -52.39 127.56 22.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.736 -179.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.85 -29.19 70.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.554 179.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -125.8 146.86 49.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.38 179.636 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -62.3 -34.27 76.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.155 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.12 -43.71 70.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.126 0.489 . . . . 0.0 110.353 179.558 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.15 -31.54 72.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.618 179.534 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.444 ' HG2' ' CD2' ' A' ' 90' ' ' PHE . 7.1 tpt180 -55.97 -45.19 78.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.909 -179.651 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -74.35 -42.86 58.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.648 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -55.23 -51.42 66.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.869 0.366 . . . . 0.0 110.235 179.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.6 ' CH2' ' O ' ' A' ' 6' ' ' LYS . 51.4 m95 -56.49 -56.98 14.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.655 178.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 55.9 t -53.24 -35.51 23.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-O 120.85 0.357 . . . . 0.0 110.236 179.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.87 -31.87 61.73 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.735 178.686 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.402 ' CB ' ' CG2' ' A' ' 5' ' ' ILE . . . -69.63 -35.24 75.05 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.324 179.273 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.579 HG12 ' O ' ' A' ' 115' ' ' TRP . 4.7 mm -68.33 -52.13 40.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.417 179.521 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -67.83 -32.76 73.52 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.29 179.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 40.8 t -67.85 -38.6 83.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.263 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.77 -32.63 71.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.257 179.456 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.487 ' HA ' ' O ' ' A' ' 55' ' ' LEU . 14.6 mt -74.09 -36.39 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.811 179.609 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 2.5 tt -68.62 -35.56 77.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.609 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.39 -32.25 58.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.974 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.1 mp . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.462 0.172 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -68.6 127.82 16.14 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.614 2.209 . . . . 0.0 112.502 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.413 HD13 ' CA ' ' A' ' 31' ' ' SER . 1.7 mp -94.02 -20.06 6.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.937 179.376 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.605 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 2.6 tptt -175.39 110.31 0.11 Allowed 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 179.019 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.404 ' HA ' ' HA ' ' A' ' 28' ' ' THR . 22.8 pt20 -130.65 108.72 10.11 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-O 120.898 0.38 . . . . 0.0 110.508 179.432 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.0 m -162.18 -175.14 4.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.154 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.418 ' CE1' HD13 ' A' ' 41' ' ' ILE . 1.1 m-85 -85.1 136.16 33.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.116 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.454 ' HB2' ' CG2' ' A' ' 27' ' ' VAL . 6.0 mp -128.12 153.53 46.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.35 179.595 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.437 ' CB ' ' HB3' ' A' ' 105' ' ' GLU . 1.2 mp -89.93 135.93 33.34 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 179.288 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.427 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.0 OUTLIER -124.72 119.39 28.82 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.846 0.355 . . . . 0.0 111.238 -179.724 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.252 179.815 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.3 mttt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.929 0.395 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -166.97 99.72 0.54 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.787 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.483 ' CD1' ' N ' ' A' ' 22' ' ' TRP . 4.1 m95 -93.06 139.47 30.51 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.508 -178.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.6 161.61 15.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.348 179.545 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.82 108.94 7.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.042 0.449 . . . . 0.0 111.156 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.6 mmmt -108.13 -179.08 3.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.491 179.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.458 ' CD1' ' HB2' ' A' ' 44' ' ' TYR . 55.5 t80 -136.05 114.63 11.85 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.223 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.454 ' CG2' ' HB2' ' A' ' 10' ' ' LEU . 1.6 t -119.05 145.26 25.39 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.392 0 CA-C-O 120.995 0.426 . . . . 0.0 111.78 -179.404 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.404 ' HA ' ' HA ' ' A' ' 7' ' ' GLN . 95.2 m -138.74 111.14 7.47 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.934 177.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.523 ' HB2' ' CZ3' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -89.2 114.93 26.3 Favored 'General case' 0 N--CA 1.444 -0.741 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 177.928 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 26.7 t -102.35 164.56 11.61 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.988 0.423 . . . . 0.0 111.532 -178.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.413 ' CA ' HD13 ' A' ' 5' ' ' ILE . 5.5 t -80.29 2.98 22.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.113 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -92.84 26.0 2.93 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.043 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 53.26 43.26 64.29 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.602 -0.809 . . . . 0.0 111.689 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -139.58 123.65 17.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.026 0.441 . . . . 0.0 111.516 -179.496 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.672 ' HG ' ' CZ3' ' A' ' 102' ' ' TRP . 2.6 tp -101.43 116.98 34.02 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.648 179.05 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -113.03 144.03 43.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.054 0.454 . . . . 0.0 111.725 -179.226 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.424 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -152.44 125.21 8.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.34 179.234 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.461 ' HB3' ' CB ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -116.28 161.57 30.73 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.675 -179.411 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -47.64 -39.95 30.33 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.722 2.282 . . . . 0.0 112.989 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.3 p -166.61 -176.2 3.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.763 0.316 . . . . 0.0 111.116 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.418 HD13 ' CE1' ' A' ' 9' ' ' PHE . 3.4 mp -58.23 -44.17 87.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.11 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.521 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 30.3 m120 -51.81 -27.4 12.28 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.436 0.636 . . . . 0.0 109.923 179.127 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.461 ' CB ' ' HB3' ' A' ' 38' ' ' HIS . 4.0 m-20 -76.95 -38.92 52.39 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.811 179.553 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.458 ' HB2' ' CD1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -72.47 -51.38 20.42 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 121.248 0.547 . . . . 0.0 110.008 179.46 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.45 HG22 ' CD2' ' A' ' 46' ' ' HIS . 19.4 mt -56.58 -61.3 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.965 179.61 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.521 ' CD2' ' O ' ' A' ' 42' ' ' ASN . 14.4 m-70 -73.72 -25.69 60.33 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.743 -178.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 75.02 72.12 0.09 Allowed 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 178.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.44 ' CG2' ' HA ' ' A' ' 43' ' ' ASP . 27.6 p -86.59 -152.91 0.19 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 178.707 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -38.79 -56.37 1.36 Allowed 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.919 0.39 . . . . 0.0 111.375 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.45 ' HA2' ' CD2' ' A' ' 38' ' ' HIS . . . 59.15 99.15 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.713 179.55 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.406 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -80.42 137.78 36.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.771 0.32 . . . . 0.0 110.923 179.775 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -131.95 133.31 44.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.835 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.541 ' CE ' ' CG ' ' A' ' 102' ' ' TRP . 0.5 OUTLIER -117.28 119.32 34.81 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.525 -179.85 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -55.89 129.78 40.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.501 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.437 ' O ' ' HA ' ' A' ' 123' ' ' ILE . 44.6 mt -94.91 30.55 2.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.474 -179.421 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.13 -59.27 2.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.835 0.35 . . . . 0.0 110.586 179.737 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.42 55.02 1.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.133 0.492 . . . . 0.0 110.408 179.669 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.406 ' OG1' ' HA ' ' A' ' 55' ' ' LEU . 0.1 OUTLIER -100.9 162.21 13.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.175 -179.725 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -133.01 160.64 36.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.526 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.7 t . . . . . 0 C--N 1.325 -0.461 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.579 179.77 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.545 ' CD1' ' N ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.824 0.345 . . . . 0.0 110.878 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -150.19 130.69 13.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.65 -179.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -121.08 147.89 44.92 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.806 0.336 . . . . 0.0 111.368 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.408 ' CD2' ' HB2' ' A' ' 103' ' ' HIS . 2.7 mt -111.0 143.47 41.64 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.465 -179.418 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.555 ' HB ' ' HB2' ' A' ' 102' ' ' TRP . 11.1 mm -114.55 108.71 26.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.229 179.588 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 91.4 t -103.08 128.36 56.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.972 0.415 . . . . 0.0 111.845 -179.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.84 -174.05 3.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.093 179.067 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.6 m -88.28 0.01 56.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.549 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.5 t -114.81 23.01 12.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.89 0.376 . . . . 0.0 110.83 179.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 82.52 -20.57 8.73 Favored Glycine 0 CA--C 1.52 0.345 0 C-N-CA 120.723 -0.751 . . . . 0.0 113.31 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -53.4 126.81 22.61 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.977 0.389 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' A' ' 94' ' ' ILE . 10.7 m -127.36 114.69 17.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.507 -179.67 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.672 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 37.3 m0 -95.32 105.8 17.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.362 179.212 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.458 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.9 OUTLIER -94.17 116.42 28.83 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.959 179.601 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.566 ' CZ ' ' HB3' ' A' ' 102' ' ' TRP . 16.9 m-85 -126.62 153.82 44.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.274 0.559 . . . . 0.0 111.591 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.466 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 50.2 tt0 -116.07 108.77 16.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.602 178.643 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.405 ' CB ' ' HB2' ' A' ' 112' ' ' ARG . . . -53.45 125.05 16.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.88 -179.011 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -71.83 -31.7 66.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.234 179.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -120.52 136.13 54.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.27 179.502 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.542 ' CE1' ' CD1' ' A' ' 90' ' ' PHE . 0.8 OUTLIER -55.05 -51.92 64.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.289 -179.442 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.77 -39.62 85.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.994 0.426 . . . . 0.0 110.675 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.419 ' HG2' ' CD1' ' A' ' 115' ' ' TRP . 2.2 tt0 -65.46 -33.09 75.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.861 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.405 ' HB2' ' CB ' ' A' ' 106' ' ' ALA . 0.0 OUTLIER -56.57 -49.69 74.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.129 -179.876 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -68.67 -39.16 80.75 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.504 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 118' ' ' ALA . . . -58.74 -50.03 75.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.281 179.38 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.605 ' CH2' ' O ' ' A' ' 6' ' ' LYS . 55.1 m95 -58.64 -54.76 43.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 178.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 53.3 t -55.02 -35.94 36.68 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -78.42 -28.14 46.73 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.297 178.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 114' ' ' ALA . . . -67.98 -51.77 43.53 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.298 179.443 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 3.6 mp -61.46 -46.12 97.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.189 179.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.97 -32.66 74.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.973 0.416 . . . . 0.0 110.331 179.281 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 30.7 t -70.31 -45.03 67.09 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.772 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -64.18 -31.41 72.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.436 179.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.437 ' HA ' ' O ' ' A' ' 55' ' ' LEU . 34.8 mt -73.55 -36.25 47.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.925 179.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 1.5 mp -68.79 -36.35 78.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.703 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.34 -31.23 58.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.047 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.401 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 3.8 mt . . . . . 0 C--O 1.233 0.221 0 CA-C-O 120.53 0.205 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 25.2 Cg_exo -62.26 128.06 22.81 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.386 2.057 . . . . 0.0 112.347 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.495 ' N ' ' O ' ' A' ' 29' ' ' LEU . 40.9 mm -93.84 -19.58 6.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.095 179.694 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.61 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 0.2 OUTLIER 177.08 110.71 0.02 OUTLIER 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 179.086 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -129.64 117.0 19.68 Favored 'General case' 0 C--N 1.311 -1.072 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.332 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 99.0 p -172.29 -175.13 1.35 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.007 0.432 . . . . 0.0 111.193 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.416 ' CE1' HD11 ' A' ' 41' ' ' ILE . 6.6 m-85 -84.64 134.92 34.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.053 -179.768 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.438 ' HB2' ' CG2' ' A' ' 27' ' ' VAL . 6.5 mp -126.84 151.51 48.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.651 179.745 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.414 ' CD2' ' HB2' ' A' ' 22' ' ' TRP . 1.1 mp -86.49 139.46 30.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.482 179.703 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.445 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.0 OUTLIER -130.16 108.53 10.12 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.326 -179.792 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.428 ' HB3' ' CE2' ' A' ' 22' ' ' TRP . 3.5 ptt85 . . . . . 0 C--N 1.332 -0.19 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.403 ' HD3' ' CZ2' ' A' ' 22' ' ' TRP . 10.1 mttt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 121.002 0.429 . . . . 0.0 111.157 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -164.33 98.66 0.82 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.808 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.501 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 4.1 m95 -92.98 134.76 34.79 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.546 -178.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.28 153.56 24.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.109 179.444 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.1 119.56 9.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.019 0.437 . . . . 0.0 110.932 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.65 -177.32 3.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.542 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.533 ' CE1' ' CG ' ' A' ' 44' ' ' TYR . 39.2 t80 -138.84 115.1 10.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.346 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.444 ' HB ' ' CH2' ' A' ' 115' ' ' TRP . 1.8 t -121.88 147.32 25.97 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.3 0 CA-C-O 120.954 0.407 . . . . 0.0 111.764 -179.274 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 90.4 m -138.68 110.39 7.12 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.08 177.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.543 ' HB2' ' CZ3' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -89.53 115.27 26.82 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 177.606 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 26.6 t -105.48 161.22 14.52 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.022 0.439 . . . . 0.0 111.32 -178.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.1 t -76.07 2.1 13.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.195 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -91.08 26.06 2.27 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.745 0.307 . . . . 0.0 111.132 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 52.43 40.67 54.36 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.695 -0.764 . . . . 0.0 111.799 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.419 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -138.27 123.5 19.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.067 0.461 . . . . 0.0 111.339 -179.537 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.657 ' HG ' ' CZ3' ' A' ' 102' ' ' TRP . 2.0 tp -101.25 116.98 34.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.727 179.215 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -112.3 148.51 34.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.014 0.435 . . . . 0.0 111.585 -179.297 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.484 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -158.83 132.23 7.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.662 179.383 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.461 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 0.1 OUTLIER -120.09 162.99 30.71 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.27 -179.539 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.461 ' HD2' ' HB3' ' A' ' 38' ' ' HIS . 42.7 Cg_endo -68.65 -28.26 31.34 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.299 2.0 . . . . 0.0 112.73 -179.714 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 74.4 m -154.34 163.02 40.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.719 0.295 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.416 HD11 ' CE1' ' A' ' 9' ' ' PHE . 2.6 mp -56.23 -39.24 58.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.639 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.498 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 33.1 m-80 -53.03 -28.54 24.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.296 0.57 . . . . 0.0 109.942 179.051 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.442 ' CB ' ' HB3' ' A' ' 38' ' ' HIS . 1.4 m-20 -77.06 -37.49 54.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.684 179.545 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.533 ' CG ' ' CE1' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -71.27 -51.18 25.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.256 0.551 . . . . 0.0 110.201 179.534 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.419 HG13 ' CD2' ' A' ' 44' ' ' TYR . 24.0 mt -60.05 -62.14 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.169 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.498 ' CD2' ' O ' ' A' ' 42' ' ' ASN . 12.7 m-70 -73.54 -24.55 60.14 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.69 -1.141 . . . . 0.0 112.182 -178.565 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.434 ' HA ' ' O ' ' A' ' 43' ' ' ASP . 1.5 m 76.42 73.45 0.08 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.895 0.379 . . . . 0.0 111.299 179.541 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.459 ' O ' ' HB2' ' A' ' 49' ' ' HIS . 44.1 p -120.27 117.74 28.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.618 179.461 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.459 ' HB2' ' O ' ' A' ' 48' ' ' THR . 12.6 m170 71.42 -61.15 0.49 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.23 -179.226 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.439 ' HA2' ' CD2' ' A' ' 38' ' ' HIS . . . 41.5 88.23 0.01 OUTLIER Glycine 0 N--CA 1.454 -0.103 0 CA-C-N 115.505 -0.77 . . . . 0.0 113.091 179.421 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.453 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -68.86 135.79 51.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.782 0.325 . . . . 0.0 110.644 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.419 ' HG2' ' CD1' ' A' ' 34' ' ' PHE . 1.9 mt-10 -131.82 133.19 44.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.539 ' CE ' ' CG ' ' A' ' 102' ' ' TRP . 0.5 OUTLIER -118.11 118.14 31.09 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.438 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -56.99 131.57 50.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.518 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.454 ' O ' ' HA ' ' A' ' 123' ' ' ILE . 1.1 mt -95.99 27.55 3.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.55 -179.251 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.0 mt -83.16 -54.57 4.93 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.783 0.325 . . . . 0.0 110.746 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.29 57.0 1.42 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.655 179.73 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -105.73 162.07 13.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.037 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.91 153.11 50.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.745 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 15.8 t . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.801 179.864 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.579 ' CD1' ' CE1' ' A' ' 109' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 121.116 0.484 . . . . 0.0 111.315 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -140.93 129.88 23.18 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.946 179.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -124.97 144.8 50.18 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.964 0.412 . . . . 0.0 111.548 -179.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -109.29 142.44 40.17 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.972 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.53 ' HB ' ' HB2' ' A' ' 102' ' ' TRP . 14.2 mm -110.89 108.49 25.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.355 179.469 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 69.0 t -100.19 131.63 47.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.965 0.412 . . . . 0.0 111.439 -179.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.1 -174.04 2.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.161 179.323 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.9 t -83.84 -16.49 44.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.401 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.8 t -102.18 23.46 11.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.862 0.363 . . . . 0.0 111.201 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 82.06 -19.77 9.47 Favored Glycine 0 CA--C 1.52 0.382 0 C-N-CA 120.651 -0.785 . . . . 0.0 113.409 179.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.52 119.99 4.69 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 117.038 0.419 . . . . 0.0 110.74 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.444 ' HA ' ' O ' ' A' ' 94' ' ' ILE . 0.8 OUTLIER -121.69 114.86 21.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.968 0.413 . . . . 0.0 111.754 -179.256 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.657 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 33.3 m0 -97.18 105.48 17.63 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.027 178.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.501 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.8 OUTLIER -95.03 116.4 28.65 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.696 179.539 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.577 ' CZ ' ' HB3' ' A' ' 102' ' ' TRP . 18.6 m-85 -124.84 160.67 28.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.335 0.588 . . . . 0.0 111.811 -179.748 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.466 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 0.7 OUTLIER -125.86 108.61 11.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.644 178.79 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -53.87 121.17 7.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.572 -179.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.21 -34.23 73.36 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.46 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.6 p -117.67 149.31 40.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.424 179.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.579 ' CE1' ' CD1' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -62.85 -29.37 70.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.192 -179.582 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -74.17 -32.75 63.22 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.001 0.429 . . . . 0.0 110.967 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.29 -34.77 65.93 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.165 -179.038 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.508 ' HG3' ' O ' ' A' ' 109' ' ' PHE . 2.3 ppt_? -56.53 -44.44 80.81 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.0 -179.235 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -74.83 -49.66 19.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.786 0.327 . . . . 0.0 110.865 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -52.56 -52.64 54.01 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.556 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.61 ' CH2' ' O ' ' A' ' 6' ' ' LYS . 53.9 m95 -56.54 -53.33 58.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.942 179.034 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 83.4 t -55.53 -35.03 36.56 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-O 120.952 0.406 . . . . 0.0 110.259 179.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -79.16 -29.19 42.9 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.589 179.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.62 -50.72 62.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.058 0.456 . . . . 0.0 110.484 179.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.406 HG13 HD22 ' A' ' 29' ' ' LEU . 3.9 mp -64.17 -46.95 92.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.076 179.3 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -64.87 -32.64 74.44 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.887 0.375 . . . . 0.0 110.288 179.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.1 m -69.31 -47.91 63.09 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.647 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -60.81 -32.77 72.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.496 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.454 ' HA ' ' O ' ' A' ' 55' ' ' LEU . 33.0 mt -72.7 -36.3 52.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.869 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 40.2 tp -68.7 -37.2 79.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.734 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.34 -29.0 57.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.045 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.331 -0.207 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.993 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 20.1 mm . . . . . 0 N--CA 1.455 -0.179 0 CA-C-O 120.543 0.211 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -56.88 125.64 19.66 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.279 1.986 . . . . 0.0 112.409 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.5 ' N ' ' O ' ' A' ' 29' ' ' LEU . 43.3 mm -93.11 -20.7 6.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.273 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.622 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 0.3 OUTLIER 179.08 110.45 0.03 OUTLIER 'General case' 0 C--O 1.218 -0.59 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.081 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -129.82 108.91 10.51 Favored 'General case' 0 C--N 1.312 -1.022 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.504 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.1 m -163.63 -175.15 4.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.288 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -83.23 140.3 32.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.021 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.428 ' HB2' ' CG2' ' A' ' 27' ' ' VAL . 5.5 mp -133.5 156.6 47.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.543 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.425 ' O ' ' HA ' ' A' ' 104' ' ' PHE . 1.3 tp -93.83 130.66 39.77 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 179.11 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.413 ' CB ' ' HG3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -116.19 118.76 33.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.001 0.429 . . . . 0.0 111.395 -179.436 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.7 ttp180 . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.039 179.545 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 121.061 0.458 . . . . 0.0 111.215 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -170.59 100.37 0.25 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.899 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.532 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 3.4 m95 -97.58 148.69 23.02 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.325 -179.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.28 158.99 28.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.584 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt -67.54 123.41 20.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.984 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.413 ' HG3' ' CB ' ' A' ' 12' ' ' LYS . 3.6 mttp -124.96 -177.47 3.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.754 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.496 ' CE1' ' CG ' ' A' ' 44' ' ' TYR . 43.7 t80 -137.83 114.78 10.74 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.075 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.445 ' HB ' ' CH2' ' A' ' 115' ' ' TRP . 1.7 t -119.66 146.54 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.971 0.415 . . . . 0.0 111.74 -179.307 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 89.7 m -138.71 110.82 7.31 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.054 177.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.548 ' HB2' ' CZ3' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -90.24 116.09 27.96 Favored 'General case' 0 N--CA 1.444 -0.725 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 177.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.2 t -105.43 159.55 15.83 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.034 0.445 . . . . 0.0 111.223 -178.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 t -74.6 1.99 10.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.224 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 35.4 p30 -90.27 26.01 2.04 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-O 120.836 0.35 . . . . 0.0 111.245 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 53.73 40.6 64.24 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.609 -0.805 . . . . 0.0 111.819 -179.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.425 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -137.95 126.14 23.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.974 0.416 . . . . 0.0 111.572 -179.449 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.657 ' HG ' ' CZ3' ' A' ' 102' ' ' TRP . 3.5 tp -104.31 116.98 33.11 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.636 179.261 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -114.2 147.46 38.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.976 0.417 . . . . 0.0 111.843 -179.055 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.431 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.3 OUTLIER -154.94 125.09 6.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.37 179.022 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.454 ' HB3' ' CB ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -115.3 162.02 26.71 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.748 -179.401 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -48.12 -48.3 16.97 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.71 2.273 . . . . 0.0 112.751 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.0 m -154.15 -171.11 3.76 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.805 0.336 . . . . 0.0 111.171 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.3 mp -64.02 -43.0 97.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.011 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.513 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 3.4 m-20 -51.87 -26.91 11.12 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.367 0.603 . . . . 0.0 110.134 179.267 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.454 ' CB ' ' HB3' ' A' ' 38' ' ' HIS . 4.1 m-20 -76.84 -40.89 46.26 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.795 179.569 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.496 ' CG ' ' CE1' ' A' ' 26' ' ' TYR . 0.3 OUTLIER -71.12 -51.24 26.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.244 0.545 . . . . 0.0 110.036 179.41 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.437 HG23 ' CD2' ' A' ' 46' ' ' HIS . 24.4 mt -56.28 -61.94 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.022 179.587 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.513 ' CD2' ' O ' ' A' ' 42' ' ' ASN . 15.6 m-70 -73.51 -24.86 60.21 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.856 -1.065 . . . . 0.0 111.776 -178.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.8 m 74.73 71.77 0.1 Allowed 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 178.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.435 ' CG2' ' HA ' ' A' ' 43' ' ' ASP . 30.7 p -87.01 -153.53 0.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.758 178.716 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -39.21 -56.35 1.52 Allowed 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.978 0.418 . . . . 0.0 111.283 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.444 ' HA2' ' CD2' ' A' ' 38' ' ' HIS . . . 57.8 98.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 121.035 -0.602 . . . . 0.0 112.824 179.391 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.428 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . 1.7 mmtm -74.78 138.62 42.77 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.743 0.306 . . . . 0.0 110.783 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.425 ' HB3' ' CE2' ' A' ' 34' ' ' PHE . 3.9 mt-10 -132.83 133.13 42.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.016 0.436 . . . . 0.0 110.656 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.572 ' CE ' ' CG ' ' A' ' 102' ' ' TRP . 0.4 OUTLIER -119.04 121.04 38.96 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.398 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -57.0 131.13 48.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.564 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.419 ' HA ' ' OG1' ' A' ' 58' ' ' THR . 24.7 mt -95.57 22.8 6.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.548 -179.619 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.08 -57.32 3.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.828 0.347 . . . . 0.0 110.729 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.81 59.1 0.88 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.532 179.685 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.419 ' OG1' ' HA ' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -113.82 161.97 16.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.42 -179.526 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -129.33 152.29 49.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.01 179.475 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.405 ' HA ' ' O ' ' A' ' 93' ' ' LEU . 14.9 p . . . . . 0 C--N 1.326 -0.423 0 CA-C-O 120.756 0.312 . . . . 0.0 111.058 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.579 ' CD1' ' N ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER . . . . . 0 CA--C 1.528 0.106 0 CA-C-O 120.915 0.388 . . . . 0.0 111.017 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -141.53 132.76 26.44 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.532 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 20.3 p90 -122.47 156.02 34.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.816 0.341 . . . . 0.0 111.269 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.405 ' O ' ' HA ' ' A' ' 60' ' ' VAL . 0.6 OUTLIER -119.04 149.54 41.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.298 -179.593 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.49 ' HB ' ' HB2' ' A' ' 102' ' ' TRP . 8.0 mm -122.45 108.72 22.29 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.194 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.227 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 58.2 t -102.54 132.71 48.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.107 0.48 . . . . 0.0 112.215 -179.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 44.2 t -94.21 -174.1 3.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.235 179.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 56.0 p -85.83 -11.04 54.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.355 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.0 t -105.33 23.39 13.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.909 0.385 . . . . 0.0 111.171 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 83.99 -21.17 10.2 Favored Glycine 0 CA--C 1.52 0.388 0 C-N-CA 120.742 -0.742 . . . . 0.0 113.401 179.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.31 128.72 23.11 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 117.001 0.401 . . . . 0.0 110.836 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 94' ' ' ILE . 1.8 m -130.36 114.81 16.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.95 0.405 . . . . 0.0 111.79 -179.675 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.657 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 35.4 m0 -95.34 105.56 17.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.222 178.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.532 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.7 OUTLIER -96.78 116.17 28.69 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.491 179.169 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.559 ' CZ ' ' HB3' ' A' ' 102' ' ' TRP . 19.4 m-85 -122.59 161.01 24.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.249 0.547 . . . . 0.0 111.739 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.447 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 0.1 OUTLIER -123.34 106.08 10.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.704 178.792 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.407 ' CB ' ' HB2' ' A' ' 112' ' ' ARG . . . -53.41 123.45 12.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.682 -179.195 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.26 -32.68 74.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.501 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.74 137.48 52.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.448 179.538 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.554 ' CE1' ' CD1' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -52.56 -47.8 66.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.257 -179.571 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.11 -36.96 85.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.031 0.444 . . . . 0.0 110.707 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.08 -36.69 77.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.03 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.407 ' HB2' ' CB ' ' A' ' 106' ' ' ALA . 2.9 tmm_? -56.86 -48.29 78.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.017 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.494 ' O ' HG13 ' A' ' 116' ' ' VAL . 4.6 m-20 -70.39 -27.56 64.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.905 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -70.97 -48.7 51.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.041 0.448 . . . . 0.0 109.803 179.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.622 ' CH2' ' O ' ' A' ' 6' ' ' LYS . 60.1 m95 -62.25 -48.79 78.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.652 178.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.494 HG13 ' O ' ' A' ' 113' ' ' ASP . 3.3 p -57.2 -35.75 49.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 121.02 0.438 . . . . 0.0 110.017 179.391 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -79.48 -32.0 42.48 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.057 179.156 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.412 ' CB ' ' CG2' ' A' ' 5' ' ' ILE . . . -65.09 -50.66 65.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.319 179.335 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 2.7 mp -62.69 -48.37 88.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.205 179.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -65.04 -32.76 74.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.914 0.387 . . . . 0.0 110.261 179.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.9 m -66.47 -44.64 82.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.623 179.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -65.05 -33.76 76.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.381 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 23.9 mt -73.95 -37.94 48.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.695 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 6.0 tp -68.73 -35.21 76.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.709 179.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -74.23 -35.29 63.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.923 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 27.4 m . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.836 179.812 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 20.2 mm . . . . . 0 N--CA 1.456 -0.127 0 CA-C-O 120.532 0.206 . . . . 0.0 110.811 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo -55.46 126.59 23.0 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.279 1.986 . . . . 0.0 112.37 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.489 ' N ' ' O ' ' A' ' 29' ' ' LEU . 36.4 mm -94.61 -20.1 6.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.329 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.611 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 2.3 tptt 178.37 110.74 0.03 OUTLIER 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 179.011 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -129.44 111.15 12.5 Favored 'General case' 0 C--N 1.313 -1.002 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.364 179.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.9 t -164.32 -175.18 3.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.276 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -87.16 129.45 34.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.012 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.452 ' HB2' ' CG2' ' A' ' 27' ' ' VAL . 6.6 mp -120.77 157.92 28.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.572 179.419 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.43 ' CD2' ' HB2' ' A' ' 22' ' ' TRP . 1.4 tp -95.41 137.01 35.06 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 179.149 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.404 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.2 OUTLIER -127.75 117.22 21.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.846 0.355 . . . . 0.0 111.35 -179.514 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.8 ptt180 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.858 179.712 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.963 0.411 . . . . 0.0 111.198 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -164.78 97.91 0.76 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.8 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.532 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 2.3 m95 -98.0 141.83 30.47 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.318 -178.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.48 160.35 20.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.379 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.5 mmtp -63.03 120.13 10.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.772 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 10' ' ' LEU . 2.7 tptt -120.14 175.87 5.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.072 -179.76 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.502 ' CE1' ' CG ' ' A' ' 44' ' ' TYR . 50.7 t80 -135.97 115.3 12.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.333 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.452 ' CG2' ' HB2' ' A' ' 10' ' ' LEU . 1.6 t -123.84 147.25 28.31 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.324 0 CA-C-O 121.008 0.432 . . . . 0.0 112.142 -179.14 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 87.0 m -138.76 110.54 7.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.974 177.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.584 ' HB2' ' CZ3' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -89.37 115.68 27.01 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 178.123 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.2 t -104.98 157.97 16.86 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.931 0.396 . . . . 0.0 111.021 -178.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.5 t -73.74 1.1 11.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.302 179.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -88.85 26.21 1.59 Allowed 'General case' 0 CA--C 1.523 -0.094 0 CA-C-O 120.83 0.347 . . . . 0.0 111.427 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 52.81 39.28 55.36 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.591 -0.814 . . . . 0.0 111.686 -179.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.415 ' CA ' HD13 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -137.08 123.51 20.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.957 0.408 . . . . 0.0 111.263 -179.484 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.646 ' HG ' ' CZ3' ' A' ' 102' ' ' TRP . 2.8 tp -102.46 117.01 33.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.721 179.157 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -112.45 144.9 41.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.96 0.41 . . . . 0.0 111.615 -179.062 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.451 ' CE1' ' CB ' ' A' ' 51' ' ' LYS . 0.2 OUTLIER -153.49 131.81 12.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.451 179.389 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.47 ' CD2' ' HA2' ' A' ' 50' ' ' GLY . 0.2 OUTLIER -120.9 160.02 46.54 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.821 -179.3 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -49.47 -30.11 20.11 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.729 2.286 . . . . 0.0 112.693 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -176.55 -174.66 0.59 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.815 0.34 . . . . 0.0 111.104 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.8 mp -59.16 -47.74 89.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.012 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.492 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 5.0 m-20 -51.78 -28.27 14.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.384 0.611 . . . . 0.0 110.197 179.305 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -76.93 -40.31 47.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.751 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.502 ' CG ' ' CE1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -70.06 -51.26 33.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.18 0.514 . . . . 0.0 110.185 179.503 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.434 HG22 ' CD2' ' A' ' 46' ' ' HIS . 23.0 mt -58.74 -62.35 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.426 -0.807 . . . . 0.0 111.089 179.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.492 ' CD2' ' O ' ' A' ' 42' ' ' ASN . 14.5 m-70 -73.37 -24.58 60.34 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.827 -1.079 . . . . 0.0 112.29 -178.534 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 m 76.83 74.09 0.07 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.917 0.389 . . . . 0.0 111.188 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 43.2 p -120.69 118.83 31.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.925 179.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 77.87 -60.14 0.43 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.519 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.47 ' HA2' ' CD2' ' A' ' 38' ' ' HIS . . . 45.46 89.19 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.235 0 CA-C-N 115.644 -0.707 . . . . 0.0 113.112 179.66 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.451 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -87.12 131.11 34.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.868 0.366 . . . . 0.0 110.827 179.86 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -130.19 133.22 46.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.102 0.477 . . . . 0.0 110.926 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.531 ' CE ' ' CG ' ' A' ' 102' ' ' TRP . 0.4 OUTLIER -115.87 119.76 37.01 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.272 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -60.03 124.78 21.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.457 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.463 ' O ' ' HA ' ' A' ' 123' ' ' ILE . 0.8 OUTLIER -92.32 41.82 1.08 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.473 -179.556 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.4 tp -83.31 -61.61 1.8 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.787 0.327 . . . . 0.0 110.83 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 70.8 mtt180 -125.14 36.34 4.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.694 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -75.53 161.44 29.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.83 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -130.09 151.64 50.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.502 179.73 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 5.2 m . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 179.923 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.49 ' CZ ' ' CD2' ' A' ' 109' ' ' PHE . 4.1 m-30 . . . . . 0 CA--C 1.528 0.108 0 CA-C-O 120.839 0.352 . . . . 0.0 111.202 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -139.86 129.89 24.94 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.708 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 36.1 p90 -122.95 156.82 33.95 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.858 0.361 . . . . 0.0 110.862 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.404 ' HG ' ' CG ' ' A' ' 103' ' ' HIS . 0.5 OUTLIER -119.18 142.79 47.66 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.353 -179.471 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.494 ' HB ' ' HB2' ' A' ' 102' ' ' TRP . 12.6 mm -113.82 108.66 26.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.323 179.675 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 99.3 t -99.84 130.11 49.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.989 0.423 . . . . 0.0 111.727 -179.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.21 -174.2 3.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.24 179.273 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.7 t -83.95 -18.54 36.94 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.33 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.4 t -100.71 23.6 10.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.866 0.365 . . . . 0.0 111.133 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 84.68 -21.85 10.25 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 120.635 -0.793 . . . . 0.0 113.236 179.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -48.05 125.53 9.26 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.941 0.371 . . . . 0.0 110.859 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.447 ' HA ' ' O ' ' A' ' 94' ' ' ILE . 3.0 m -127.52 114.76 17.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.961 0.41 . . . . 0.0 111.822 -179.406 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.646 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 34.6 m0 -96.69 105.39 17.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.167 178.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.532 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.7 OUTLIER -94.98 116.31 28.53 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.517 179.421 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 102' ' ' TRP . 19.3 m-85 -122.98 165.97 15.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.297 0.57 . . . . 0.0 111.742 -179.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.402 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 34.2 tt0 -132.95 101.1 5.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.864 179.137 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -50.38 126.61 15.46 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.695 -179.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.64 -30.66 70.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.703 179.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.42 154.39 33.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.699 179.734 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.49 ' CD2' ' CZ ' ' A' ' 90' ' ' PHE . 4.2 m-85 -65.23 -55.19 19.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.056 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.49 -32.79 70.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.742 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.87 -39.23 87.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.57 -49.31 75.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.04 -179.73 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -63.34 -45.83 89.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.654 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 118' ' ' ALA . . . -54.11 -51.67 63.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.857 0.361 . . . . 0.0 110.27 179.426 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.611 ' CH2' ' O ' ' A' ' 6' ' ' LYS . 53.0 m95 -56.82 -54.66 43.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.93 178.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 95.9 t -55.08 -35.64 35.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.966 0.412 . . . . 0.0 110.315 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.4 ' O ' ' HB3' ' A' ' 121' ' ' SER . 0.2 OUTLIER -79.23 -27.96 42.48 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.375 179.109 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 114' ' ' ALA . . . -72.88 -38.26 67.03 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.423 179.498 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 1.9 mp -70.07 -49.02 59.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.212 179.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.82 -32.58 73.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.682 -0.236 . . . . 0.0 110.701 179.458 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.4 ' HB3' ' O ' ' A' ' 117' ' ' GLN . 83.4 p -69.93 -38.83 76.32 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-O 120.882 0.372 . . . . 0.0 110.154 179.49 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.83 -33.11 75.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.059 0.457 . . . . 0.0 109.912 179.075 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.463 ' HA ' ' O ' ' A' ' 55' ' ' LEU . 18.3 mt -72.25 -37.83 60.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.059 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.2 tp -68.38 -34.53 76.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.38 -35.14 58.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.071 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.898 -179.999 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 4.7 ttt85 . . . . . 0 N--CA 1.488 1.429 0 CA-C-O 120.813 0.339 . . . . 0.0 111.26 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.9 171.21 7.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.962 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.6 mp -130.42 131.59 23.47 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.122 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -60.42 130.47 33.94 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.554 2.169 . . . . 0.0 112.249 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.407 ' HB ' ' HB3' ' A' ' 29' ' ' LEU . 29.4 mm -95.77 -19.83 6.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.142 179.566 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.614 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 0.0 OUTLIER 176.21 110.76 0.02 OUTLIER 'General case' 0 C--O 1.217 -0.654 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 179.007 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -130.59 111.73 12.5 Favored 'General case' 0 C--N 1.313 -0.994 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.43 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -166.21 -175.46 3.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.24 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.436 ' CE1' HD11 ' A' ' 41' ' ' ILE . 0.7 OUTLIER -79.13 149.38 32.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.926 -179.741 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.442 ' CD2' ' HB3' ' A' ' 104' ' ' PHE . 3.6 mp -144.33 149.76 36.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.642 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.42 ' O ' ' HA ' ' A' ' 104' ' ' PHE . 1.1 mp -89.07 137.23 32.51 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.007 179.349 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.433 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.2 OUTLIER -129.49 122.82 30.05 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.94 0.4 . . . . 0.0 111.368 -179.494 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.448 ' HG2' ' CE2' ' A' ' 22' ' ' TRP . 30.6 mtm180 -49.83 148.2 3.27 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.318 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -157.83 70.95 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.727 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 176.54 -91.56 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.537 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -163.82 177.38 8.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.844 0.354 . . . . 0.0 110.937 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.3 t -71.18 -47.32 58.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.955 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.6 mp -64.36 -33.56 76.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.8 t30 -127.66 83.08 2.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.779 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -69.05 155.84 39.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.03 0.443 . . . . 0.0 111.055 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -167.43 99.45 0.5 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.854 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.494 ' CD1' ' N ' ' A' ' 22' ' ' TRP . 3.5 m95 -94.82 136.68 34.84 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.504 -178.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.36 159.26 17.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.47 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -70.46 120.19 15.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.979 0.418 . . . . 0.0 111.122 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 44.7 mmtt -122.68 -175.02 3.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.388 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.454 ' CE1' ' HB2' ' A' ' 44' ' ' TYR . 50.8 t80 -141.28 114.65 8.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.236 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.444 ' HB ' ' CH2' ' A' ' 115' ' ' TRP . 1.9 t -116.02 148.23 18.88 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.412 0 CA-C-O 121.052 0.453 . . . . 0.0 111.583 -179.357 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 89.7 m -138.65 111.53 7.78 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.076 178.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.564 ' HB2' ' CZ3' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -90.74 114.9 27.36 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 177.861 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.1 t -102.95 162.53 12.85 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.011 0.434 . . . . 0.0 111.392 -178.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 83.1 p -76.94 2.52 14.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.191 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 -92.75 26.04 2.88 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-O 120.758 0.313 . . . . 0.0 111.256 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 54.3 42.71 74.59 Favored Glycine 0 N--CA 1.448 -0.567 0 C-N-CA 120.577 -0.821 . . . . 0.0 111.672 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -138.73 132.73 31.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.075 0.464 . . . . 0.0 111.622 -179.426 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.675 ' HG ' ' CZ3' ' A' ' 102' ' ' TRP . 1.8 tp -112.6 116.8 30.77 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.749 179.252 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -116.32 147.66 41.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.952 0.406 . . . . 0.0 111.659 -179.101 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.411 ' CE1' ' HB3' ' A' ' 51' ' ' LYS . 1.0 OUTLIER -149.3 129.36 13.54 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.743 179.373 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.466 ' CD2' ' HA3' ' A' ' 50' ' ' GLY . 0.3 OUTLIER -117.76 161.96 31.42 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.835 -179.318 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -49.82 -37.7 45.84 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.669 2.246 . . . . 0.0 112.588 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.36 -168.85 1.46 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.81 0.338 . . . . 0.0 111.212 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.436 HD11 ' CE1' ' A' ' 9' ' ' PHE . 3.4 mp -67.7 -44.55 85.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.882 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.518 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 2.4 p-10 -51.95 -26.4 10.38 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.425 0.631 . . . . 0.0 109.938 179.051 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.461 ' HB3' ' O ' ' A' ' 48' ' ' THR . 3.7 m-20 -76.8 -40.41 48.19 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.832 179.43 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.454 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -70.73 -51.12 29.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.258 0.551 . . . . 0.0 110.149 179.54 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.449 HG21 ' CD2' ' A' ' 46' ' ' HIS . 24.7 mt -58.0 -62.12 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.087 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.518 ' CD2' ' O ' ' A' ' 42' ' ' ASN . 14.6 m-70 -73.46 -24.52 60.23 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.722 -1.127 . . . . 0.0 112.125 -178.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 75.81 68.33 0.07 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.97 0.414 . . . . 0.0 111.567 179.484 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.461 ' O ' ' HB3' ' A' ' 43' ' ' ASP . 43.6 p -141.73 116.57 9.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.143 179.17 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 68.3 88.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 -178.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.466 ' HA3' ' CD2' ' A' ' 38' ' ' HIS . . . -143.98 91.08 0.16 Allowed Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.684 -179.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.411 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 4.0 tptt -68.63 144.76 54.38 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.914 0.388 . . . . 0.0 111.212 -179.263 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -129.55 137.85 50.99 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.497 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.526 ' CE ' ' CG ' ' A' ' 102' ' ' TRP . 0.5 OUTLIER -121.72 120.64 35.27 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.519 -179.58 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -57.46 133.76 55.48 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.815 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.414 ' O ' ' HA ' ' A' ' 123' ' ' ILE . 46.9 mt -98.31 26.8 5.11 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.344 -179.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.02 -46.66 12.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.793 0.33 . . . . 0.0 110.983 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -135.12 57.22 1.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.792 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -110.67 161.8 15.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.937 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.54 151.41 48.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.221 179.359 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.461 ' HA ' ' O ' ' A' ' 93' ' ' LEU . 13.5 p -130.28 125.05 59.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.028 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.86 159.4 39.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.446 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.1 m -78.98 157.22 76.43 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.048 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -65.88 70.64 0.37 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.654 2.236 . . . . 0.0 112.472 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.89 61.38 7.16 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.784 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -137.44 154.2 49.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.795 0.331 . . . . 0.0 110.972 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.9 mmp_? -58.15 159.18 11.65 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.777 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -53.73 118.64 5.14 Favored 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.634 2.223 . . . . 0.0 112.101 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.22 96.71 0.72 Allowed 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.522 2.148 . . . . 0.0 112.387 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.1 mmt180 -141.55 75.53 1.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.763 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.11 -38.23 75.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.232 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.8 mt -61.87 -35.04 65.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.91 124.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.018 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.67 17.57 10.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.689 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 12.0 t80 61.07 154.93 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.874 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 111.82 141.97 8.62 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.478 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.86 105.84 0.14 Allowed 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.544 2.163 . . . . 0.0 112.344 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.0 p -82.75 179.97 7.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.01 -32.43 59.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.007 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 26.5 t -168.92 83.76 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.95 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -71.6 67.14 1.02 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.575 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -75.4 177.82 6.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.879 0.371 . . . . 0.0 110.864 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 60.05 101.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.995 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -123.08 -41.74 0.43 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.449 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -96.02 -34.25 11.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.811 0.339 . . . . 0.0 110.961 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -122.84 160.43 26.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.071 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -159.48 129.71 5.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.923 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -61.21 -44.12 97.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 57.59 33.41 23.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 26.3 m-20 -87.83 103.91 16.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.483 ' CE1' ' CE2' ' A' ' 109' ' ' PHE . 26.0 m-85 -94.45 104.03 16.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.018 0.437 . . . . 0.0 111.442 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.7 mp0 -147.72 129.8 15.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.154 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -122.68 152.97 40.02 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.964 0.412 . . . . 0.0 111.396 -179.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.461 ' O ' ' HA ' ' A' ' 60' ' ' VAL . 3.2 mp -116.56 145.12 43.58 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.302 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.479 ' HB ' ' HB2' ' A' ' 102' ' ' TRP . 6.0 mm -114.44 108.45 25.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.949 179.319 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 52.8 t -97.26 129.27 47.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.155 0.502 . . . . 0.0 112.118 -179.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.67 -173.91 3.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.222 179.277 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.7 -18.62 40.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.415 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.0 t -100.26 23.42 10.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.895 0.379 . . . . 0.0 111.261 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 82.85 -20.6 9.15 Favored Glycine 0 CA--C 1.519 0.329 0 C-N-CA 120.591 -0.814 . . . . 0.0 113.278 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -51.88 120.3 5.17 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 117.051 0.425 . . . . 0.0 110.704 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 94' ' ' ILE . 1.4 m -120.63 114.62 21.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.017 0.437 . . . . 0.0 111.872 -179.351 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.675 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 38.7 m0 -90.04 105.68 17.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.208 178.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.494 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.8 OUTLIER -97.37 116.32 29.36 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.406 -0.518 . . . . 0.0 110.692 179.545 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.591 ' CZ ' ' HB3' ' A' ' 102' ' ' TRP . 18.0 m-85 -123.31 157.85 32.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.286 0.565 . . . . 0.0 111.673 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.453 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -123.44 101.72 7.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.668 178.734 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -54.56 131.75 43.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.726 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -69.32 -32.15 71.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.434 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.04 145.32 38.71 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.511 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.483 ' CE2' ' CE1' ' A' ' 90' ' ' PHE . 7.7 m-30 -66.07 -38.87 89.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.187 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -73.92 -35.23 64.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.069 0.462 . . . . 0.0 110.865 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.43 -41.06 98.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.336 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.59 -35.21 67.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.756 0.313 . . . . 0.0 110.911 -179.613 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -72.7 -48.35 39.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.511 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 118' ' ' ALA . . . -55.68 -46.55 77.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.179 179.421 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.614 ' CH2' ' O ' ' A' ' 6' ' ' LYS . 56.0 m95 -59.88 -55.19 37.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.918 179.058 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 42.0 t -55.57 -34.16 34.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.964 0.411 . . . . 0.0 110.264 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -79.87 -29.89 40.13 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.202 179.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 114' ' ' ALA . . . -69.48 -45.1 69.77 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.237 179.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 2.4 mp -65.5 -48.83 81.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.254 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.03 -32.76 74.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.91 0.386 . . . . 0.0 110.198 179.095 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 28.0 t -67.11 -45.29 77.64 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.348 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -61.99 -34.36 76.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.138 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.414 ' HA ' ' O ' ' A' ' 55' ' ' LEU . 16.5 mt -73.78 -35.47 43.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.778 179.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.75 -34.31 75.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.672 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -75.73 -36.56 59.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.005 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.74 -29.82 59.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.8 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 12.7 mt -70.3 -47.52 60.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.272 -0.871 . . . . 0.0 110.914 -179.987 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.796 0.331 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -100.95 161.82 13.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.116 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 20.3 mm -132.85 132.68 22.64 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.787 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.57 127.37 25.77 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.357 2.038 . . . . 0.0 112.48 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.518 ' N ' ' O ' ' A' ' 29' ' ' LEU . 16.6 mm -93.89 -17.0 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.493 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.626 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 5.4 tptt 173.32 110.96 0.02 OUTLIER 'General case' 0 C--O 1.217 -0.608 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 179.246 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.429 ' HG2' ' CG2' ' A' ' 28' ' ' THR . 12.0 mt-30 -125.14 113.73 18.1 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 178.519 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -160.7 -176.81 5.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.03 0.443 . . . . 0.0 111.579 -179.554 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.442 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 1.3 m-85 -93.72 123.65 37.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.776 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.451 ' HB2' ' CG2' ' A' ' 27' ' ' VAL . 8.7 mp -115.15 154.33 29.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.877 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.471 ' CD2' ' HB2' ' A' ' 22' ' ' TRP . 1.2 tp -91.49 143.88 26.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.234 179.353 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.407 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.0 OUTLIER -136.5 111.97 9.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.833 0.349 . . . . 0.0 111.221 -179.751 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.416 ' HA ' ' HA ' ' A' ' 22' ' ' TRP . 11.5 ptt85 -55.71 148.19 16.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.105 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.6 t -90.36 -49.1 6.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -174.09 170.73 43.88 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.54 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 63.64 135.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.747 0.308 . . . . 0.0 111.033 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.2 t -81.23 -57.14 3.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.1 mt -64.68 -34.35 78.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.788 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -107.52 47.2 0.9 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.668 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.474 ' HD3' ' CZ2' ' A' ' 22' ' ' TRP . 5.5 mttt -56.78 158.45 4.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.216 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -158.68 96.3 1.37 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.578 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.513 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 2.8 m95 -90.22 136.99 32.71 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.426 -178.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -110.5 162.73 14.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.471 179.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -68.67 123.17 20.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.029 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.442 ' O ' ' HA ' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -126.84 173.16 9.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.46 179.827 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.445 ' CE1' ' HB2' ' A' ' 44' ' ' TYR . 54.0 t80 -131.8 114.91 15.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.597 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.451 ' CG2' ' HB2' ' A' ' 10' ' ' LEU . 1.7 t -115.44 147.8 18.59 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.372 0 CA-C-O 120.808 0.337 . . . . 0.0 111.609 -179.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.429 ' CG2' ' HG2' ' A' ' 7' ' ' GLN . 51.9 m -138.67 110.72 7.28 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.072 178.173 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.546 ' HB2' ' CZ3' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -90.3 117.12 28.78 Favored 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 177.587 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.6 t -108.98 161.46 15.13 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.961 0.41 . . . . 0.0 111.195 -178.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.8 t -76.56 2.05 15.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.213 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -90.93 25.92 2.26 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-O 120.82 0.343 . . . . 0.0 111.206 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.407 ' C ' ' HB2' ' A' ' 55' ' ' LEU . . . 53.14 40.4 59.37 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.057 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.402 ' CD1' ' HB3' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -139.23 125.14 19.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.068 0.461 . . . . 0.0 111.656 -179.622 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.618 ' HG ' ' CZ3' ' A' ' 102' ' ' TRP . 2.0 tp -105.7 116.92 32.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.631 179.046 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -112.68 146.56 38.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.918 0.389 . . . . 0.0 111.664 -179.008 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.41 ' CE1' ' HB2' ' A' ' 51' ' ' LYS . 0.5 OUTLIER -148.98 125.97 11.29 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.793 179.212 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.473 ' CD2' ' HA3' ' A' ' 50' ' ' GLY . 0.3 OUTLIER -118.26 162.52 29.59 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 115.399 -0.818 . . . . 0.0 110.695 -179.268 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -50.48 -38.27 53.52 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.547 2.165 . . . . 0.0 112.722 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 59.2 p -164.27 -169.77 1.9 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.871 0.367 . . . . 0.0 111.25 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.5 mp -67.12 -44.51 87.96 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.932 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.513 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 16.1 m120 -51.86 -26.38 9.93 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.441 0.639 . . . . 0.0 109.995 179.073 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.485 ' HB3' ' O ' ' A' ' 48' ' ' THR . 13.0 m-20 -76.82 -41.92 42.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.739 179.484 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.445 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 0.5 OUTLIER -68.68 -51.21 44.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.249 0.547 . . . . 0.0 110.123 179.464 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.44 HG21 ' CD2' ' A' ' 46' ' ' HIS . 29.8 mt -58.6 -62.5 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.267 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.513 ' CD2' ' O ' ' A' ' 42' ' ' ASN . 15.1 m-70 -73.59 -24.31 60.05 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.809 -1.087 . . . . 0.0 112.324 -178.455 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 76.72 73.82 0.08 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.039 0.447 . . . . 0.0 111.198 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.485 ' O ' ' HB3' ' A' ' 43' ' ' ASP . 50.3 p -145.94 117.91 8.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.113 179.283 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 4.7 m80 64.32 88.35 0.1 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 -178.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.473 ' HA3' ' CD2' ' A' ' 38' ' ' HIS . . . -143.32 90.39 0.17 Allowed Glycine 0 N--CA 1.448 -0.548 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.659 -179.548 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.414 ' HB3' ' CZ2' ' A' ' 102' ' ' TRP . 0.0 OUTLIER -68.59 144.48 54.51 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.877 0.37 . . . . 0.0 111.182 -179.238 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.402 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 50.6 mt-10 -128.29 133.16 48.69 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.383 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.531 ' CE ' ' CG ' ' A' ' 102' ' ' TRP . 0.5 OUTLIER -116.71 122.62 45.03 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.587 -179.768 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -56.47 132.3 50.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.655 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.455 ' HA ' ' OG1' ' A' ' 58' ' ' THR . 13.7 mt -96.04 24.68 5.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.358 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 tt -83.29 -61.46 1.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.238 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.2 ttm180 -117.67 43.76 2.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.182 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.456 ' HG1' HG12 ' A' ' 123' ' ' ILE . 0.3 OUTLIER -94.9 162.08 13.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.947 0.403 . . . . 0.0 110.815 179.831 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -131.66 156.72 45.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.627 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.8 m -114.86 114.75 47.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.633 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.34 161.33 13.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.066 0.46 . . . . 0.0 111.337 -179.282 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 23.6 t -143.97 136.07 13.17 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.824 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.74 61.41 3.7 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.42 2.08 . . . . 0.0 112.397 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.07 107.68 0.57 Allowed Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.585 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.3 173.28 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.628 0.251 . . . . 0.0 110.933 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.0 mpt_? 62.45 172.41 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.445 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_exo -52.25 118.35 4.5 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.306 2.004 . . . . 0.0 112.17 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -86.41 171.72 7.37 Favored 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 122.693 2.262 . . . . 0.0 112.404 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 23.7 mmm180 -136.48 143.28 43.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.72 -33.62 74.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.112 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 28.0 mt -77.85 -29.72 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.66 115.22 7.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.974 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.67 17.58 10.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.01 0.433 . . . . 0.0 111.687 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -153.85 95.82 1.91 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.951 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 172.4 150.94 7.57 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.51 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.26 164.82 1.13 Allowed 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.615 2.21 . . . . 0.0 112.346 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -137.66 81.81 1.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.839 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -90.24 -40.04 12.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.196 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.2 m 62.94 142.68 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.935 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 170.17 112.18 0.26 Allowed Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.548 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.1 m 59.83 96.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.802 0.334 . . . . 0.0 110.988 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -160.71 161.96 32.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -110.42 -38.92 1.55 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.457 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -135.92 80.12 1.81 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.826 0.346 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -140.21 -177.15 4.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.091 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 59.75 62.07 1.79 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.029 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -60.85 -30.93 70.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.676 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.426 ' HB3' ' CZ ' ' A' ' 109' ' ' PHE . 0.8 OUTLIER 60.14 77.06 0.34 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.117 179.762 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -106.33 106.29 16.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.482 179.584 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.47 ' CE1' ' CE2' ' A' ' 109' ' ' PHE . 2.7 m-85 -94.62 104.03 15.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.464 -179.411 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -133.28 130.1 38.49 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.665 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -124.26 153.18 42.06 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.71 0.29 . . . . 0.0 110.965 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.422 ' HG ' ' ND1' ' A' ' 103' ' ' HIS . 1.3 mp -115.88 159.56 21.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.071 0.463 . . . . 0.0 111.824 -179.296 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.448 ' HB ' ' HB2' ' A' ' 102' ' ' TRP . 11.7 mm -130.26 108.57 16.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.291 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 58' ' ' THR . 57.7 t -102.1 133.21 46.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.799 0.333 . . . . 0.0 111.785 -179.496 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.85 -174.14 2.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.514 179.33 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 48.2 t -85.29 -3.6 58.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.55 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.6 t -110.56 21.39 16.66 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.827 0.346 . . . . 0.0 111.083 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 81.88 -19.93 8.84 Favored Glycine 0 CA--C 1.52 0.345 0 C-N-CA 120.812 -0.709 . . . . 0.0 113.425 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.83 126.62 26.46 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 117.01 0.405 . . . . 0.0 110.728 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 1.4 m -126.07 114.68 18.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.482 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.618 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 36.7 m0 -93.42 105.44 17.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.168 179.052 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.513 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.7 OUTLIER -94.63 116.13 28.39 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.514 179.26 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.542 ' CZ ' ' HB3' ' A' ' 102' ' ' TRP . 29.5 m-85 -122.12 164.84 17.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.276 0.56 . . . . 0.0 111.78 -179.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.44 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -128.16 103.6 7.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.552 178.784 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -54.04 123.59 13.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.618 -179.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.44 -29.18 67.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.764 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -117.79 150.63 38.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.603 179.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.47 ' CE2' ' CE1' ' A' ' 90' ' ' PHE . 8.0 m-30 -66.11 -41.34 90.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -73.79 -32.6 63.83 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.986 0.422 . . . . 0.0 110.542 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.19 -40.53 85.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.458 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -57.05 -34.13 67.93 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.767 0.318 . . . . 0.0 110.865 -179.731 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.505 ' O ' HG13 ' A' ' 116' ' ' VAL . 0.5 OUTLIER -74.76 -42.56 58.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.806 179.707 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 118' ' ' ALA . . . -61.05 -46.53 90.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.92 0.39 . . . . 0.0 110.037 179.438 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.626 ' CH2' ' O ' ' A' ' 6' ' ' LYS . 59.2 m95 -63.48 -51.79 64.09 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.764 178.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.505 HG13 ' O ' ' A' ' 113' ' ' ASP . 1.1 p -57.63 -32.44 42.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.884 0.373 . . . . 0.0 110.217 179.426 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -82.51 -30.92 29.5 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.196 179.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.417 ' CB ' ' CG2' ' A' ' 5' ' ' ILE . . . -67.46 -47.45 70.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.018 179.274 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.418 ' O ' HG13 ' A' ' 123' ' ' ILE . 2.4 mp -64.98 -51.15 70.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.481 -0.782 . . . . 0.0 109.635 178.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -61.53 -32.7 72.77 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.117 179.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.4 m -63.96 -49.5 72.3 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.425 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.405 ' HB3' ' HA2' ' A' ' 33' ' ' GLY . 92.9 mm-40 -62.14 -39.67 93.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.551 179.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.456 HG12 ' HG1' ' A' ' 58' ' ' THR . 14.3 mt -66.53 -41.18 88.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.88 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 17.1 tp -60.7 -36.3 78.46 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.675 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.31 -28.38 56.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.094 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.7 m -86.31 -34.94 20.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.272 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.84 -32.48 74.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.839 0.352 . . . . 0.0 111.042 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.987 179.984 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.819 0.342 . . . . 0.0 111.195 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.55 163.39 18.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.167 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.421 ' O ' ' HB2' ' A' ' 31' ' ' SER . 17.9 mt -134.62 134.92 22.66 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.816 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -60.63 124.77 15.72 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.225 1.95 . . . . 0.0 112.391 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.507 ' N ' ' O ' ' A' ' 29' ' ' LEU . 25.7 mm -93.82 -19.82 6.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.4 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.612 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 5.1 tptt 177.72 110.96 0.03 OUTLIER 'General case' 0 C--O 1.218 -0.582 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 179.154 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.86 113.5 16.0 Favored 'General case' 0 C--N 1.313 -0.998 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.469 179.673 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 43.8 p -168.24 -177.15 3.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -84.32 143.02 29.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.024 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.441 ' HB2' ' CG2' ' A' ' 27' ' ' VAL . 6.1 mp -134.76 155.19 51.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.476 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.44 ' CD2' ' HB2' ' A' ' 22' ' ' TRP . 1.1 tp -90.94 135.74 33.54 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.045 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.421 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.1 OUTLIER -125.97 112.91 16.47 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.862 0.363 . . . . 0.0 111.306 -179.412 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.79 147.96 26.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.844 179.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.16 101.08 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.932 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 129.19 115.02 1.79 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.643 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 62.2 149.74 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.808 0.337 . . . . 0.0 111.025 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.52 -56.55 3.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 mp -69.53 -41.06 76.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.831 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -94.05 84.07 4.43 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.604 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.95 165.07 1.34 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.139 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -164.97 97.96 0.74 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.912 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.509 ' CD1' ' N ' ' A' ' 22' ' ' TRP . 2.8 m95 -97.23 136.03 38.32 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.394 -178.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.04 156.57 22.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.674 179.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.9 mmtp -64.26 119.12 9.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.116 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.8 mmtm -119.47 -178.34 3.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.748 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.458 ' O ' ' HA ' ' A' ' 37' ' ' TYR . 45.4 t80 -135.34 114.73 12.5 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.146 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.441 ' CG2' ' HB2' ' A' ' 10' ' ' LEU . 1.6 t -120.03 145.9 25.63 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.376 0 CA-C-O 120.961 0.41 . . . . 0.0 111.999 -179.342 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 89.9 m -138.72 110.52 7.17 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.053 177.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.548 ' HB2' ' CZ3' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -89.42 116.1 27.35 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 177.809 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.0 t -107.09 158.28 17.19 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.95 0.405 . . . . 0.0 111.289 -178.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.421 ' HB2' ' O ' ' A' ' 3' ' ' ILE . 1.1 t -74.76 2.32 10.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.141 179.521 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -90.25 26.05 2.03 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.857 0.361 . . . . 0.0 111.208 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.408 ' HA2' ' HB3' ' A' ' 122' ' ' GLN . . . 53.52 40.75 62.86 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.696 -0.764 . . . . 0.0 111.845 -179.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -139.34 123.59 18.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.962 0.41 . . . . 0.0 111.726 -179.427 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.629 ' HG ' ' CZ3' ' A' ' 102' ' ' TRP . 3.0 tp -103.01 117.09 33.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.542 178.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.71 144.67 42.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.105 0.478 . . . . 0.0 111.957 -178.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.458 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.3 OUTLIER -150.83 125.0 9.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.123 179.024 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.514 ' HB3' ' CB ' ' A' ' 43' ' ' ASP . 0.6 OUTLIER -113.65 159.44 35.59 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.115 -179.014 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -49.1 -29.64 16.67 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.759 2.306 . . . . 0.0 113.123 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.87 -170.75 0.33 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.832 0.348 . . . . 0.0 111.409 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.4 mp -64.76 -43.73 96.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.073 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.528 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 7.2 m-20 -51.74 -27.83 13.25 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.402 0.62 . . . . 0.0 109.88 179.211 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.514 ' CB ' ' HB3' ' A' ' 38' ' ' HIS . 3.8 m-20 -76.91 -39.6 50.26 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.839 179.426 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -71.53 -51.24 24.62 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.261 0.553 . . . . 0.0 110.054 179.612 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.452 HG21 ' CD2' ' A' ' 46' ' ' HIS . 19.3 mt -57.31 -61.64 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.901 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.528 ' CD2' ' O ' ' A' ' 42' ' ' ASN . 13.7 m-70 -73.44 -24.98 60.31 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.829 -1.078 . . . . 0.0 111.831 -178.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.4 t 74.7 72.04 0.1 Allowed 'General case' 0 C--O 1.232 0.155 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.439 ' CG2' ' HA ' ' A' ' 43' ' ' ASP . 31.1 p -87.22 -154.43 0.24 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.811 178.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -40.77 -55.85 2.32 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.93 0.395 . . . . 0.0 111.491 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.434 ' HA2' ' CD2' ' A' ' 38' ' ' HIS . . . 59.41 99.74 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.574 179.738 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.445 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . 0.5 OUTLIER -75.3 143.49 42.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.823 0.344 . . . . 0.0 110.938 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -138.8 133.25 31.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.646 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.545 ' CE ' ' CG ' ' A' ' 102' ' ' TRP . 0.4 OUTLIER -118.69 121.91 41.24 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.61 -179.727 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -57.35 130.45 46.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.454 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.443 ' O ' ' HA ' ' A' ' 123' ' ' ILE . 18.8 mt -95.05 28.25 2.86 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.547 -179.424 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.2 -61.59 1.81 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.808 0.337 . . . . 0.0 110.982 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.414 ' NH1' ' CB ' ' A' ' 97' ' ' SER . 19.3 mtm105 -116.61 50.86 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.754 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.42 ' OG1' ' HA ' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -100.28 161.99 13.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.074 -179.871 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.14 170.01 16.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.75 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.9 t -131.27 120.27 45.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.659 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.7 ptpm? -130.13 160.66 33.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.009 0.433 . . . . 0.0 111.599 -179.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 56.2 t -146.92 134.0 10.09 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.662 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -57.71 84.96 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.344 2.029 . . . . 0.0 112.209 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 63.65 99.01 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.376 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.13 101.02 0.05 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.958 0.408 . . . . 0.0 110.871 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.415 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.0 OUTLIER 169.99 176.69 0.1 OUTLIER Pre-proline 0 C--N 1.332 -0.191 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.552 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.415 ' CD ' ' CB ' ' A' ' 66' ' ' ARG . 53.9 Cg_exo -52.37 133.21 47.64 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.351 2.034 . . . . 0.0 112.103 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -71.57 141.05 37.36 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.388 2.059 . . . . 0.0 112.308 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.04 35.52 23.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.835 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.15 -52.55 65.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.202 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.4 mp -90.44 -70.51 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.235 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 55.39 58.09 4.9 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.901 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.68 17.6 10.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.746 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -108.5 93.34 4.47 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.896 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 83.01 -138.65 18.3 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.493 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -67.46 104.02 0.87 Allowed 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.444 2.096 . . . . 0.0 112.244 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.9 -176.07 0.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.987 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.55 -21.75 44.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.304 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 29.2 m 64.46 102.94 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.773 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 98.29 133.19 7.88 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.516 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.4 p -123.34 89.77 3.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.868 0.366 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 60.84 156.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.019 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 109.08 24.63 5.92 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.619 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -177.66 -39.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 0.0 110.94 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -174.72 162.37 3.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.108 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -151.39 121.42 7.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -56.11 -50.48 70.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.021 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.433 ' HB3' ' CZ ' ' A' ' 109' ' ' PHE . 2.5 mt-10 50.31 26.99 2.47 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.393 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -61.68 104.7 0.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.715 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.512 ' CE2' ' CD1' ' A' ' 109' ' ' PHE . 8.2 m-85 -85.64 137.02 33.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.263 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -138.71 129.77 26.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.551 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -119.25 149.61 41.48 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.928 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -112.32 141.31 46.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.77 -179.259 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.532 ' HB ' ' HB2' ' A' ' 102' ' ' TRP . 13.7 mm -111.38 108.58 25.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.191 179.52 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 99.0 t -96.75 132.6 40.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.961 0.41 . . . . 0.0 111.641 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.34 -174.05 2.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.229 179.231 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.414 ' CB ' ' NH1' ' A' ' 57' ' ' ARG . 0.3 OUTLIER -83.52 -20.18 34.36 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.238 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 8.6 t -100.14 23.57 9.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.836 0.35 . . . . 0.0 111.006 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 84.16 -21.82 9.44 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 120.679 -0.772 . . . . 0.0 113.23 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.99 123.94 7.92 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.94 0.37 . . . . 0.0 110.728 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.48 ' HA ' ' O ' ' A' ' 94' ' ' ILE . 23.4 m -125.2 114.78 19.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.837 0.351 . . . . 0.0 111.836 -179.529 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.629 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 38.5 m0 -92.84 105.5 17.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.972 178.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.491 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.8 OUTLIER -94.44 116.08 28.38 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.655 179.434 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.562 ' CZ ' ' HB3' ' A' ' 102' ' ' TRP . 17.3 m-85 -123.79 163.87 20.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.22 0.533 . . . . 0.0 111.402 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.426 ' HB3' ' CB ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -126.04 108.82 11.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.863 179.07 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -53.52 122.62 10.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.77 -179.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.65 -32.99 74.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.336 179.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -116.17 138.93 50.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.373 179.418 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.512 ' CD1' ' CE2' ' A' ' 90' ' ' PHE . 15.5 m-30 -57.32 -36.2 70.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.33 -179.483 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -73.92 -36.02 64.66 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.057 0.456 . . . . 0.0 110.891 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.47 -32.14 73.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.489 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.425 ' HG2' ' CD2' ' A' ' 90' ' ' PHE . 0.3 OUTLIER -56.78 -41.22 77.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.795 0.331 . . . . 0.0 110.816 -179.666 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -74.8 -46.73 34.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.635 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 118' ' ' ALA . . . -54.16 -51.92 62.78 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.475 179.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.612 ' CH2' ' O ' ' A' ' 6' ' ' LYS . 55.4 m95 -59.17 -52.63 64.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.985 179.079 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 67.6 t -57.58 -33.8 45.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 CA-C-O 120.869 0.366 . . . . 0.0 110.32 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.412 ' O ' ' CB ' ' A' ' 121' ' ' SER . 0.0 OUTLIER -80.87 -28.26 36.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.31 179.002 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 114' ' ' ALA . . . -70.97 -43.84 67.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.311 179.545 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 2.4 mp -67.32 -48.73 76.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.072 179.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -65.67 -32.79 74.55 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.913 0.387 . . . . 0.0 110.111 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.412 ' CB ' ' O ' ' A' ' 117' ' ' GLN . 12.9 t -66.36 -45.37 80.36 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.508 179.442 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.408 ' HB3' ' HA2' ' A' ' 33' ' ' GLY . 56.7 mm-40 -63.12 -33.97 76.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.412 179.609 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.443 ' HA ' ' O ' ' A' ' 55' ' ' LEU . 24.9 mt -72.24 -37.23 58.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.921 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.68 -35.68 80.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.58 179.574 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.44 -30.66 57.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.91 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.2 m -80.77 -35.04 33.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.077 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.54 -34.02 72.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.949 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.14 -0.933 . . . . 0.0 110.966 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.791 0.329 . . . . 0.0 111.349 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.07 171.35 12.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.151 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.6 mm -126.13 132.38 24.3 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.958 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -59.81 128.01 25.42 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.424 2.082 . . . . 0.0 112.469 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.495 ' N ' ' O ' ' A' ' 29' ' ' LEU . 24.8 mm -92.88 -20.13 6.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.045 179.642 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.601 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 0.2 OUTLIER 176.99 110.56 0.02 OUTLIER 'General case' 0 C--O 1.216 -0.687 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.124 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.401 ' HA ' ' HA ' ' A' ' 28' ' ' THR . 2.9 pt20 -130.73 109.51 10.66 Favored 'General case' 0 C--N 1.312 -1.055 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.433 179.379 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -164.59 -175.19 3.74 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.2 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -81.78 132.74 35.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.117 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.437 ' HB2' HG21 ' A' ' 27' ' ' VAL . 4.5 mp -126.43 151.88 47.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.357 179.628 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.444 ' CD2' ' HB2' ' A' ' 22' ' ' TRP . 1.0 OUTLIER -90.28 137.36 32.41 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 179.087 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.415 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.2 OUTLIER -126.09 126.53 44.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.914 0.388 . . . . 0.0 111.218 -179.504 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.458 ' NE ' ' CD2' ' A' ' 103' ' ' HIS . 15.3 mtt180 -47.65 148.15 1.59 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.088 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.59 -62.51 1.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.978 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -171.01 -72.52 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.745 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -52.1 129.41 27.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.774 0.321 . . . . 0.0 111.24 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.0 m -78.29 -53.88 6.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.989 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 mp -53.2 -36.97 61.55 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.96 0.41 . . . . 0.0 110.946 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 53.0 m-20 -118.52 72.3 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.507 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.405 ' HD2' ' CD ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -55.91 150.06 13.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.186 -179.496 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -157.62 97.02 1.56 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.494 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.548 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 3.7 m95 -88.83 136.82 32.81 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.448 -178.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.29 160.42 16.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.589 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.98 117.86 8.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.09 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -119.73 176.54 5.34 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.559 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.469 ' CE1' ' CG ' ' A' ' 44' ' ' TYR . 45.7 t80 -135.72 115.1 12.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.571 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.437 HG21 ' HB2' ' A' ' 10' ' ' LEU . 1.9 t -123.07 148.15 27.05 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.304 0 CA-C-O 120.947 0.403 . . . . 0.0 111.936 -179.285 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.401 ' HA ' ' HA ' ' A' ' 7' ' ' GLN . 95.9 m -138.89 110.57 7.11 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.06 177.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.573 ' HB2' ' CZ3' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -89.12 116.09 27.13 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 178.051 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.5 t -105.03 161.06 14.55 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.068 0.461 . . . . 0.0 111.392 -178.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.8 t -77.16 1.28 18.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.175 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -89.74 26.17 1.85 Allowed 'General case' 0 CA--C 1.522 -0.131 0 CA-C-O 120.814 0.34 . . . . 0.0 111.258 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 53.94 40.42 65.31 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.633 -0.794 . . . . 0.0 111.589 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -138.2 128.68 26.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.966 0.412 . . . . 0.0 111.443 -179.454 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.686 ' HG ' ' CZ3' ' A' ' 102' ' ' TRP . 2.3 tp -107.86 117.19 33.47 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.491 179.247 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -112.39 143.8 42.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.039 0.447 . . . . 0.0 112.038 -178.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.419 ' CD2' ' HB3' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -148.93 130.06 14.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.415 179.382 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.469 ' CD2' ' HA2' ' A' ' 50' ' ' GLY . 0.2 OUTLIER -119.81 156.55 53.94 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.816 -179.479 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_exo -51.52 -28.91 29.97 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.776 2.317 . . . . 0.0 112.599 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.49 -174.68 1.22 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.841 0.353 . . . . 0.0 111.111 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.4 mp -63.96 -44.35 97.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.486 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 43.2 m-20 -51.89 -29.38 19.64 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.309 0.576 . . . . 0.0 110.104 179.319 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.421 ' O ' ' HA ' ' A' ' 47' ' ' SER . 1.7 m-20 -76.9 -38.56 53.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.837 179.476 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.469 ' CG ' ' CE1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -70.45 -51.35 29.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.233 0.539 . . . . 0.0 110.168 179.479 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.423 HG13 ' CD2' ' A' ' 44' ' ' TYR . 23.2 mt -59.55 -62.48 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.233 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.486 ' CD2' ' O ' ' A' ' 42' ' ' ASN . 13.1 m-70 -73.32 -24.75 60.42 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.74 -1.118 . . . . 0.0 112.292 -178.506 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' A' ' 43' ' ' ASP . 1.4 m 76.61 73.03 0.07 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.827 0.346 . . . . 0.0 111.244 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 47.1 p -119.21 116.97 27.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 76.98 -59.74 0.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.459 -179.689 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.469 ' HA2' ' CD2' ' A' ' 38' ' ' HIS . . . 45.81 89.4 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.24 0 CA-C-N 115.564 -0.744 . . . . 0.0 113.159 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.424 ' HG2' ' CZ2' ' A' ' 102' ' ' TRP . 0.1 OUTLIER -78.9 141.24 37.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.761 0.315 . . . . 0.0 110.565 179.738 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -141.31 134.72 29.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.045 0.45 . . . . 0.0 110.931 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.561 ' CE ' ' CG ' ' A' ' 102' ' ' TRP . 0.9 OUTLIER -121.95 122.5 39.51 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.437 -179.868 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -58.07 128.01 34.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.48 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.9 mt -91.54 20.22 5.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.797 -179.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -83.19 -61.64 1.8 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.784 0.326 . . . . 0.0 110.767 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.1 ttm-85 -109.86 52.56 0.72 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.664 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -106.59 162.05 14.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.174 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.24 172.42 12.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.573 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.1 t -126.2 132.82 70.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.034 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.9 mtmt -129.77 159.09 37.58 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.239 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 22.0 t -122.67 136.4 26.65 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.832 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.2 59.45 3.06 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.547 2.164 . . . . 0.0 112.754 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.85 -46.67 3.46 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.718 -0.754 . . . . 0.0 113.059 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.02 152.23 0.55 Allowed 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.906 0.384 . . . . 0.0 111.417 -179.679 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.47 165.03 38.78 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.946 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_endo -57.62 119.76 7.23 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.628 2.219 . . . . 0.0 112.17 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_exo -56.88 154.6 31.55 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.536 2.157 . . . . 0.0 112.315 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -92.8 116.71 29.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -90.64 -42.14 10.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.358 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.7 mp -84.07 -36.14 11.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.278 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.22 70.28 2.15 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.967 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.72 17.49 10.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.721 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -157.7 159.12 36.58 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -159.17 145.94 12.23 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.452 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -72.89 168.8 23.7 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.458 2.105 . . . . 0.0 112.274 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.0 m -163.52 101.82 0.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -77.28 -32.05 55.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.06 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.9 t -163.8 64.2 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 63.32 -154.94 44.23 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.427 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 90.7 p -122.96 77.93 1.5 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.882 0.373 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -103.94 110.39 22.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 106.94 28.14 5.12 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.583 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -176.77 77.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.842 0.353 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.06 106.93 2.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.051 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -110.73 108.49 18.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -59.13 -37.64 77.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.432 ' HB3' ' CZ ' ' A' ' 109' ' ' PHE . 3.0 mt-10 55.0 34.24 22.0 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.2 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -82.24 108.98 16.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.477 179.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.514 ' CG ' ' HG3' ' A' ' 112' ' ' ARG . 16.2 m-85 -89.42 111.03 21.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.061 0.458 . . . . 0.0 111.798 -179.59 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -128.11 129.87 47.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.554 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 5.0 p90 -130.33 151.86 50.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.95 0.405 . . . . 0.0 111.689 -179.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.45 ' HG ' ' CG ' ' A' ' 103' ' ' HIS . 0.6 OUTLIER -115.63 145.73 42.44 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.025 -179.862 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.519 ' HB ' ' HB2' ' A' ' 102' ' ' TRP . 11.7 mm -116.64 108.32 24.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.267 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 84.8 t -97.0 131.88 42.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.873 0.368 . . . . 0.0 111.601 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.4 -174.14 3.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.283 179.259 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 15.7 p -84.04 -17.3 40.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.274 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.2 t -101.89 23.39 11.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.939 0.4 . . . . 0.0 111.173 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 84.5 -21.76 10.13 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 120.799 -0.715 . . . . 0.0 113.329 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.07 128.47 16.29 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.93 0.365 . . . . 0.0 110.827 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.425 ' HA ' ' O ' ' A' ' 94' ' ' ILE . 2.5 m -128.6 114.64 16.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.018 0.437 . . . . 0.0 111.888 -179.42 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.686 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 38.4 m0 -94.57 105.42 17.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.259 178.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.548 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.8 OUTLIER -96.84 116.16 28.68 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.302 179.069 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.596 ' CZ ' ' HB3' ' A' ' 102' ' ' TRP . 17.5 m-85 -123.34 154.92 38.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.289 0.566 . . . . 0.0 111.906 -179.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.464 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 26.7 tt0 -121.81 93.53 4.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.303 178.31 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.642 ' HB3' ' HB3' ' A' ' 112' ' ' ARG . . . -40.6 162.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.408 -179.021 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -100.83 -51.86 3.45 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.598 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.444 ' O ' ' CD ' ' A' ' 112' ' ' ARG . 0.8 OUTLIER -98.06 133.08 43.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.888 -179.817 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.493 ' HA ' ' CG ' ' A' ' 112' ' ' ARG . 5.5 m-30 -50.27 -34.67 24.13 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.14 -179.542 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -74.13 -32.69 63.27 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.003 0.43 . . . . 0.0 110.08 178.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.6 -39.6 64.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.722 -179.573 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.642 ' HB3' ' HB3' ' A' ' 106' ' ' ALA . 0.0 OUTLIER -56.04 -44.19 78.57 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.472 -179.427 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -71.88 -41.03 68.5 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.527 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 118' ' ' ALA . . . -58.27 -48.31 80.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.47 179.436 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.601 ' CH2' ' O ' ' A' ' 6' ' ' LYS . 57.2 m95 -57.85 -53.69 55.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.972 179.331 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 74.4 t -55.61 -35.78 39.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-O 120.857 0.36 . . . . 0.0 110.181 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -79.51 -28.44 41.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.496 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 114' ' ' ALA . . . -69.32 -46.63 66.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.398 179.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 2.9 mp -66.0 -47.66 84.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.121 179.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -65.69 -32.8 74.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.884 0.374 . . . . 0.0 110.177 179.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.1 m -68.2 -46.17 71.36 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.508 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 68.9 mm-40 -62.59 -34.96 78.04 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.397 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 39.2 mt -73.95 -36.52 45.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.68 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 2.8 mp -68.64 -34.45 75.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.581 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.41 -33.23 58.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.5 m -77.53 -32.04 53.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.006 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -68.37 -31.5 70.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.264 -0.874 . . . . 0.0 110.833 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.846 0.355 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.84 161.71 20.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.084 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.416 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 10.8 mm -118.09 129.49 25.33 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 21.5 Cg_exo -64.62 127.54 19.08 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.39 2.06 . . . . 0.0 112.4 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.505 ' N ' ' O ' ' A' ' 29' ' ' LEU . 27.5 mm -91.69 -19.68 6.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.135 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.618 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 4.0 tptt 176.54 110.73 0.02 OUTLIER 'General case' 0 C--O 1.216 -0.676 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.212 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -129.88 112.7 13.81 Favored 'General case' 0 C--N 1.313 -1.019 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.597 179.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.4 p -166.94 -175.17 2.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.153 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.423 ' CE1' HD13 ' A' ' 41' ' ' ILE . 3.2 m-85 -83.28 140.13 32.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.059 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.432 ' CD2' ' HB3' ' A' ' 104' ' ' PHE . 6.5 mp -132.99 158.05 43.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.485 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.431 ' CD2' ' HB2' ' A' ' 22' ' ' TRP . 1.1 mp -93.96 135.01 35.75 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.15 179.31 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.464 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.1 OUTLIER -124.09 120.57 32.77 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.974 0.416 . . . . 0.0 111.343 -179.493 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.464 ' CD ' ' CD2' ' A' ' 103' ' ' HIS . 7.8 mtp-105 -54.62 148.17 13.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.14 179.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.1 t -88.63 -57.46 2.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 152.6 83.75 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.583 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 178.88 102.45 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.783 0.325 . . . . 0.0 110.88 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.56 -42.8 95.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.02 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.58 -36.27 73.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -147.23 93.76 2.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.706 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.454 ' HD2' ' HG2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -56.46 163.12 1.85 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.073 0.463 . . . . 0.0 111.12 -179.803 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -162.88 98.16 0.96 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.81 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.529 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 3.3 m95 -95.69 142.24 28.22 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.386 -178.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -117.15 156.04 28.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.564 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.48 123.63 19.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.026 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -125.25 -177.05 3.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.664 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.507 ' CE1' ' CG ' ' A' ' 44' ' ' TYR . 52.7 t80 -137.84 114.95 10.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.132 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.437 ' HB ' ' CH2' ' A' ' 115' ' ' TRP . 1.6 t -120.9 146.34 25.99 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.295 0 CA-C-O 120.945 0.402 . . . . 0.0 111.845 -179.213 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 95.7 m -138.77 110.84 7.3 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.028 177.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.557 ' HB2' ' CZ3' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -89.25 115.69 26.93 Favored 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 177.906 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.6 t -105.43 161.19 14.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.06 0.457 . . . . 0.0 111.484 -178.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.7 p -76.69 1.86 15.87 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.212 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 32.2 p30 -89.56 26.11 1.81 Allowed 'General case' 0 CA--C 1.521 -0.145 0 CA-C-O 120.759 0.314 . . . . 0.0 111.375 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.414 ' HA2' ' HB3' ' A' ' 122' ' ' GLN . . . 53.13 39.61 58.12 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.533 -0.842 . . . . 0.0 111.804 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.439 ' CE1' ' HB2' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -138.73 123.61 18.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.973 0.416 . . . . 0.0 111.518 -179.431 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.635 ' HG ' ' CZ3' ' A' ' 102' ' ' TRP . 3.7 tp -100.0 116.88 33.07 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 178.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.31 149.27 34.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.045 0.45 . . . . 0.0 111.853 -178.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.438 ' CE1' ' CB ' ' A' ' 51' ' ' LYS . 0.2 OUTLIER -158.24 130.61 7.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.277 179.247 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.479 ' CD2' ' HA2' ' A' ' 50' ' ' GLY . 0.1 OUTLIER -118.83 160.32 40.99 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.781 -179.465 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -50.56 -33.56 39.39 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.585 2.19 . . . . 0.0 112.394 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.3 t -167.09 -175.45 2.99 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.423 HD13 ' CE1' ' A' ' 9' ' ' PHE . 3.4 mp -63.16 -44.13 99.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.859 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.495 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 18.0 m120 -51.9 -28.98 18.1 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.31 0.576 . . . . 0.0 110.127 179.304 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.413 ' O ' ' HA ' ' A' ' 47' ' ' SER . 1.7 m-20 -76.87 -38.59 53.39 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.822 179.506 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.507 ' CG ' ' CE1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -70.76 -51.19 28.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.254 0.55 . . . . 0.0 110.208 179.612 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.429 HG13 ' CD2' ' A' ' 44' ' ' TYR . 20.4 mt -59.84 -61.94 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.192 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.495 ' CD2' ' O ' ' A' ' 42' ' ' ASN . 13.4 m-70 -73.53 -24.43 60.14 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.773 -1.103 . . . . 0.0 112.27 -178.566 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.414 ' HB2' ' O ' ' A' ' 46' ' ' HIS . 9.9 m 77.25 74.3 0.07 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.924 0.392 . . . . 0.0 111.325 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 31.9 p -123.43 120.58 33.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 179.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 77.63 -60.77 0.42 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.512 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.479 ' HA2' ' CD2' ' A' ' 38' ' ' HIS . . . 44.09 88.47 0.01 OUTLIER Glycine 0 CA--C 1.517 0.203 0 CA-C-N 115.49 -0.777 . . . . 0.0 113.277 179.587 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.438 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . 13.4 mmtt -84.45 129.37 34.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.736 0.303 . . . . 0.0 110.656 179.618 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.439 ' HB2' ' CE1' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -131.03 137.67 49.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.167 0.508 . . . . 0.0 111.146 -179.749 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.545 ' CE ' ' CG ' ' A' ' 102' ' ' TRP . 0.3 OUTLIER -121.99 122.07 38.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.365 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.48 130.67 43.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.585 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.46 ' O ' ' HA ' ' A' ' 123' ' ' ILE . 14.0 mt -95.56 25.83 4.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.495 -179.555 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.19 -61.73 1.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.785 0.326 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.08 52.09 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.625 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -102.25 161.95 13.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.047 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.07 167.29 18.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.444 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.6 m -128.58 119.12 49.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.032 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.2 mttm -112.4 162.97 14.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.083 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.419 ' HA ' ' HD3' ' A' ' 63' ' ' PRO . 2.4 m -144.0 132.65 11.15 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.039 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 62' ' ' VAL . 18.7 Cg_exo -65.97 66.55 0.43 Allowed 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.499 2.133 . . . . 0.0 112.07 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 125.75 74.92 0.23 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.349 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.2 101.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.855 0.359 . . . . 0.0 111.156 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.409 ' HG2' ' HD2' ' A' ' 67' ' ' PRO . 8.1 mtt180 -174.06 170.25 1.77 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.474 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.409 ' HD2' ' HG2' ' A' ' 66' ' ' ARG . 67.1 Cg_endo -74.38 118.55 5.4 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.375 2.05 . . . . 0.0 112.266 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.433 ' HB2' ' CZ ' ' A' ' 90' ' ' PHE . 99.0 Cg_endo -79.31 59.66 7.49 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.47 2.113 . . . . 0.0 112.392 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -145.71 111.05 5.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.942 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -90.63 -56.35 3.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.125 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 41.3 mt -144.55 -57.04 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.8 m -151.59 -161.3 1.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.731 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.62 17.66 9.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.037 0.446 . . . . 0.0 111.651 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -132.7 139.07 47.49 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.727 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -98.93 147.52 18.52 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.585 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.09 80.27 1.58 Allowed 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.559 2.172 . . . . 0.0 112.289 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.61 137.87 48.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.75 -31.17 32.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 98.8 p -152.49 42.63 0.65 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.823 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 69.59 56.21 8.81 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.525 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.7 m -134.47 167.37 20.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.789 0.328 . . . . 0.0 110.939 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -111.23 152.31 27.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.084 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -80.78 -110.05 0.3 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.502 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -129.17 -78.57 0.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.867 0.365 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.8 94.34 0.09 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.08 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.86 71.64 0.22 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.794 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.67 -24.12 61.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.032 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -92.22 34.08 1.05 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.33 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -93.44 103.9 16.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.52 179.66 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.502 ' CD1' ' CD1' ' A' ' 109' ' ' PHE . 3.9 m-85 -87.48 104.01 16.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.291 -179.37 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -140.95 129.87 23.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.362 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 30.3 p90 -123.64 159.26 29.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.859 0.361 . . . . 0.0 111.169 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.415 ' HG ' ' CG ' ' A' ' 103' ' ' HIS . 0.6 OUTLIER -120.35 149.63 42.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.194 -179.719 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.491 ' HB ' ' HB2' ' A' ' 102' ' ' TRP . 10.5 mm -122.24 108.45 21.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.347 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 62.6 t -100.32 132.43 45.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.974 0.416 . . . . 0.0 111.79 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.81 -174.08 3.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.255 179.243 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 52.7 p -88.37 -0.08 56.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.595 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.5 t -114.71 22.84 13.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.931 0.396 . . . . 0.0 110.951 179.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 83.87 -21.65 9.24 Favored Glycine 0 CA--C 1.52 0.358 0 C-N-CA 120.704 -0.76 . . . . 0.0 113.25 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -54.09 133.44 43.91 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.93 0.365 . . . . 0.0 110.747 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.427 ' HA ' ' O ' ' A' ' 94' ' ' ILE . 2.8 m -133.5 114.75 13.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.993 0.425 . . . . 0.0 111.66 -179.618 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.635 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 36.7 m0 -93.8 105.53 17.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.161 178.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.529 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.7 OUTLIER -96.22 115.92 28.19 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.415 -0.514 . . . . 0.0 110.198 179.062 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.561 ' CZ ' ' HB3' ' A' ' 102' ' ' TRP . 18.2 m-85 -121.64 163.1 19.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.258 0.551 . . . . 0.0 111.737 -179.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.424 ' HB3' ' CB ' ' A' ' 11' ' ' LEU . 37.8 tt0 -130.26 101.98 6.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.631 178.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -53.35 132.0 38.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.743 -179.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -67.84 -32.38 72.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.461 179.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.2 m -112.12 146.89 37.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.465 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.502 ' CD1' ' CD1' ' A' ' 90' ' ' PHE . 13.5 m-85 -66.04 -36.52 83.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.205 -179.65 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -73.63 -40.99 63.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.067 0.46 . . . . 0.0 110.749 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.14 -38.37 79.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.075 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.55 -47.77 78.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.977 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.452 ' O ' HG11 ' A' ' 116' ' ' VAL . 0.7 OUTLIER -66.55 -33.17 75.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.617 179.869 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.67 -46.83 71.24 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 179.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.618 ' CH2' ' O ' ' A' ' 6' ' ' LYS . 60.1 m95 -60.79 -49.72 76.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.947 179.163 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.452 HG11 ' O ' ' A' ' 113' ' ' ASP . 1.0 OUTLIER -57.57 -34.65 47.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.96 0.41 . . . . 0.0 110.358 179.668 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.426 ' N ' HG11 ' A' ' 116' ' ' VAL . 34.6 tt0 -80.52 -31.45 37.09 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.172 179.178 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.408 ' CB ' ' CG2' ' A' ' 5' ' ' ILE . . . -66.12 -48.09 72.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.473 179.497 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 2.7 mp -65.33 -48.84 81.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.987 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -64.74 -32.78 74.62 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.212 179.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.406 ' CB ' ' O ' ' A' ' 117' ' ' GLN . 4.8 m -66.48 -44.9 81.4 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.384 179.541 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.414 ' HB3' ' HA2' ' A' ' 33' ' ' GLY . 71.6 mm-40 -65.1 -35.65 81.81 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.447 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.46 ' HA ' ' O ' ' A' ' 55' ' ' LEU . 18.8 mt -72.49 -34.95 49.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.963 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.6 -36.29 78.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.516 179.61 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.51 -29.94 57.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.991 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.3 m -81.14 -33.81 32.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.113 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.3 -64.51 0.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.987 0.422 . . . . 0.0 110.908 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.925 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.304 0 CA-C-O 120.834 0.349 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.86 159.97 23.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.095 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.8 mp -112.77 133.62 21.89 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.098 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -69.72 127.11 14.16 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.468 2.112 . . . . 0.0 112.305 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.44 ' CD1' ' N ' ' A' ' 5' ' ' ILE . 1.4 mp -90.93 -20.46 6.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.703 179.447 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.607 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 0.8 OUTLIER -176.54 110.59 0.09 Allowed 'General case' 0 C--O 1.216 -0.661 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 179.087 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -129.07 109.4 11.16 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-O 120.793 0.33 . . . . 0.0 110.305 179.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.7 -175.12 3.67 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.082 -179.679 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.46 ' CD1' ' N ' ' A' ' 9' ' ' PHE . 0.5 OUTLIER -85.17 141.45 30.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.959 -179.829 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.425 ' HB2' ' CG2' ' A' ' 27' ' ' VAL . 8.5 mp -132.65 158.02 43.34 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.451 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.459 ' HG ' ' CB ' ' A' ' 22' ' ' TRP . 1.2 tp -90.81 135.23 33.86 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 179.27 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.436 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.1 OUTLIER -123.66 109.86 14.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.229 -179.423 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.431 ' HB3' ' CE2' ' A' ' 22' ' ' TRP . 0.1 OUTLIER -63.14 136.13 57.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.97 179.908 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 49.1 m -134.04 82.69 1.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 165.84 -167.85 39.36 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.476 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -64.57 178.66 0.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.859 0.361 . . . . 0.0 110.907 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 m -78.65 -42.6 28.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.953 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.46 -44.01 88.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.854 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.2 m120 -108.64 90.75 3.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.721 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.465 ' HD3' ' CZ2' ' A' ' 22' ' ' TRP . 34.1 mttt -83.16 158.66 22.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.154 0.502 . . . . 0.0 111.205 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -162.34 97.71 1.01 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.713 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.583 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 3.2 m95 -93.15 131.87 37.82 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.394 -178.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.6 mtpp -110.29 155.72 21.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.433 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.2 mmtp -63.15 120.53 11.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.918 0.389 . . . . 0.0 110.781 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -125.52 -177.2 3.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.681 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.448 ' O ' ' HA ' ' A' ' 37' ' ' TYR . 43.0 t80 -133.73 131.67 39.68 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.359 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.433 ' HB ' ' CH2' ' A' ' 115' ' ' TRP . 1.4 t -136.56 146.59 28.5 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.277 0 CA-C-O 120.918 0.39 . . . . 0.0 111.639 -179.53 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 85.1 m -138.82 110.85 7.28 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.434 178.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.534 ' HB2' ' CZ3' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -89.32 115.08 26.53 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 177.495 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.8 t -104.67 165.02 11.34 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.159 0.504 . . . . 0.0 111.654 -178.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.0 p -79.84 1.06 28.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.097 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -89.68 26.07 1.86 Allowed 'General case' 0 CA--C 1.521 -0.151 0 CA-C-O 120.729 0.3 . . . . 0.0 111.315 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 53.29 39.43 58.82 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.562 -0.827 . . . . 0.0 111.389 -179.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -139.16 137.31 35.96 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 121.057 0.456 . . . . 0.0 111.396 -179.402 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.61 ' HG ' ' CZ3' ' A' ' 102' ' ' TRP . 1.1 tp -117.19 117.29 29.17 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.884 179.203 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.407 ' HA ' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -114.26 152.49 31.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.096 -179.516 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.448 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -156.2 131.41 9.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.215 0.531 . . . . 0.0 111.099 179.348 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.436 ' CD2' ' HA3' ' A' ' 50' ' ' GLY . 0.7 OUTLIER -115.23 161.54 29.12 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.831 -179.528 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_exo -55.89 -38.02 95.12 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.603 2.202 . . . . 0.0 112.582 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.2 m -155.37 -175.57 5.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 0.0 111.196 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.46 ' CG1' ' CE1' ' A' ' 9' ' ' PHE . 3.4 mp -67.81 -43.6 86.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.514 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 6.2 m-20 -51.86 -26.45 10.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.353 0.597 . . . . 0.0 110.121 179.175 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.48 ' HB3' ' O ' ' A' ' 48' ' ' THR . 68.9 m-20 -76.73 -40.41 48.65 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.753 179.552 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -70.96 -51.09 27.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.23 0.538 . . . . 0.0 110.09 179.582 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.441 HG21 ' CD2' ' A' ' 46' ' ' HIS . 18.6 mt -58.08 -62.07 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.081 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.514 ' CD2' ' O ' ' A' ' 42' ' ' ASN . 14.3 m-70 -73.5 -24.43 60.18 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 114.77 -1.105 . . . . 0.0 112.016 -178.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.9 t 77.08 72.51 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.004 0.431 . . . . 0.0 111.097 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.48 ' O ' ' HB3' ' A' ' 43' ' ' ASP . 43.8 p -147.27 117.28 7.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.045 179.41 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 67.52 88.21 0.11 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.846 -178.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.436 ' HA3' ' CD2' ' A' ' 38' ' ' HIS . . . -145.02 91.39 0.16 Allowed Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 111.499 -0.64 . . . . 0.0 111.499 -179.681 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 36' ' ' LEU . 3.4 tttm -68.29 142.8 55.45 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.876 0.37 . . . . 0.0 111.378 -179.237 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -131.74 162.27 30.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.308 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.551 ' HE3' ' CE2' ' A' ' 102' ' ' TRP . 5.7 ptp -147.02 153.18 39.72 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.049 0.452 . . . . 0.0 111.544 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.66 126.81 32.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.811 -0.632 . . . . 0.0 109.5 178.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.487 ' O ' ' HA ' ' A' ' 123' ' ' ILE . 3.5 mt -90.08 22.64 3.15 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -178.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.1 tt -83.24 -61.62 1.8 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.809 0.338 . . . . 0.0 110.721 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.2 mtm180 -108.82 51.85 0.73 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.497 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -103.1 161.91 13.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.008 -179.722 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.78 166.83 22.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.508 179.634 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.5 m -126.73 132.75 69.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.902 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.25 163.61 18.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.996 0.427 . . . . 0.0 111.441 -179.492 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 14.1 t -147.56 102.51 3.72 Favored Pre-proline 0 C--N 1.331 -0.221 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.812 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -86.34 127.8 2.94 Favored 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 122.782 2.322 . . . . 0.0 112.845 -179.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.25 -25.9 20.08 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.976 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -137.55 169.79 17.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.946 0.403 . . . . 0.0 111.369 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.466 ' HB3' ' HD2' ' A' ' 67' ' ' PRO . 0.2 OUTLIER -83.39 169.03 18.77 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.679 179.883 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.466 ' HD2' ' HB3' ' A' ' 66' ' ' ARG . 71.2 Cg_exo -52.15 129.71 32.2 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.327 2.018 . . . . 0.0 112.116 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_endo -61.15 84.28 0.08 OUTLIER 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.518 2.146 . . . . 0.0 112.259 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 -143.71 158.23 43.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.833 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.91 -29.66 64.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.0 mt -80.23 -29.79 12.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.203 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 70.0 m 62.64 147.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.942 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.7 17.59 10.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.843 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -159.22 139.95 12.51 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.995 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 175.69 59.06 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.516 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.41 -30.83 6.22 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.586 2.191 . . . . 0.0 112.44 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 68.1 m -120.97 158.15 28.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.37 -31.26 20.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.977 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 34.7 t -140.09 76.91 1.58 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -79.52 102.6 1.99 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.503 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.3 t -65.05 176.87 1.12 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.81 0.338 . . . . 0.0 110.912 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 60.51 157.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 140.5 -63.95 0.53 Allowed Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.496 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 60.18 86.74 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.741 0.305 . . . . 0.0 110.926 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -138.32 171.52 14.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.036 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -89.86 114.97 26.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.816 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -59.17 -25.42 63.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.046 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.453 ' HA ' ' CE2' ' A' ' 109' ' ' PHE . 13.8 mt-10 -109.56 67.65 0.65 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.996 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -131.5 103.56 6.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.952 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.597 ' CD1' ' N ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -121.96 117.81 27.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.926 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -146.61 131.6 18.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.637 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -130.14 142.85 50.55 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.822 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.42 ' CD2' ' HB2' ' A' ' 103' ' ' HIS . 1.2 mt -105.1 150.31 25.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.067 -179.562 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.421 HD13 HG23 ' A' ' 94' ' ' ILE . 7.7 mm -125.17 112.44 31.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.958 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 84.8 t -103.95 129.29 56.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.906 0.384 . . . . 0.0 111.473 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 86.2 p -93.96 -174.13 3.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.519 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 6.8 p -80.21 -21.66 42.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.158 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.2 t -97.91 24.21 7.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.93 0.395 . . . . 0.0 111.241 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 76.89 -8.11 31.32 Favored Glycine 0 CA--C 1.52 0.404 0 C-N-CA 120.785 -0.721 . . . . 0.0 113.604 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -58.55 118.62 5.82 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 117.316 0.558 . . . . 0.0 110.437 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 94' ' ' ILE . 1.2 m -115.41 114.81 25.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.988 0.423 . . . . 0.0 111.751 -179.427 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.61 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 33.3 m0 -101.0 105.58 16.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.581 179.165 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.583 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.9 OUTLIER -93.8 116.14 28.6 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.105 178.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.551 ' CZ ' ' HB3' ' A' ' 102' ' ' TRP . 20.0 m-85 -122.44 158.89 28.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.423 0.63 . . . . 0.0 111.895 -179.563 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.43 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 23.3 tt0 -127.5 104.78 8.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.135 -0.938 . . . . 0.0 109.57 178.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -52.07 129.96 28.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.795 -179.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -68.85 -35.93 77.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.364 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.47 147.76 32.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.345 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.548 ' CE1' ' CD1' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -65.8 -34.18 77.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.203 -179.613 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 16.4 tm-20 -74.05 -32.71 63.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.065 0.46 . . . . 0.0 110.763 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.45 -35.45 73.34 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.765 -179.365 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.465 ' HG3' ' O ' ' A' ' 109' ' ' PHE . 5.4 ppt_? -56.61 -40.06 74.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.707 0.289 . . . . 0.0 110.825 -179.504 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.85 -48.61 24.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.571 179.361 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.407 ' O ' ' N ' ' A' ' 118' ' ' ALA . . . -52.6 -52.27 56.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.432 179.538 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.607 ' CH2' ' O ' ' A' ' 6' ' ' LYS . 55.6 m95 -57.26 -53.28 59.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.959 179.175 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 78.8 t -54.93 -34.45 31.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 CA-C-O 121.012 0.435 . . . . 0.0 110.122 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.4 ' O ' ' CB ' ' A' ' 121' ' ' SER . 0.9 OUTLIER -79.82 -29.27 40.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.206 178.938 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.413 ' CB ' ' CG2' ' A' ' 5' ' ' ILE . . . -67.82 -47.25 69.59 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-O 121.08 0.467 . . . . 0.0 110.431 179.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 3.3 mp -65.88 -48.54 81.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.018 179.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -65.43 -32.86 74.71 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.61 179.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 117' ' ' GLN . 58.2 p -69.15 -41.55 77.12 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.426 179.663 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 66.8 mm-40 -66.08 -31.07 71.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.267 179.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.487 ' HA ' ' O ' ' A' ' 55' ' ' LEU . 17.8 mt -73.21 -38.29 54.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.931 179.706 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 9.6 tt -68.69 -35.62 77.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.747 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.37 -30.52 57.6 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.947 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 8.2 t -78.49 -31.36 47.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -66.18 -30.63 71.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.159 -0.924 . . . . 0.0 110.851 -179.976 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.438 0 CA-C-O 120.948 0.404 . . . . 0.0 111.134 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.82 177.14 5.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.447 ' CG2' ' HD2' ' A' ' 4' ' ' PRO . 1.8 mt -126.31 137.64 30.69 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.447 ' HD2' ' CG2' ' A' ' 3' ' ' ILE . 18.0 Cg_endo -59.93 127.09 22.17 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.355 2.036 . . . . 0.0 112.376 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.526 ' N ' ' O ' ' A' ' 29' ' ' LEU . 47.2 mm -91.97 -20.27 6.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.13 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.619 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 0.0 OUTLIER 179.93 110.5 0.04 OUTLIER 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 179.278 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -129.47 109.74 11.3 Favored 'General case' 0 C--N 1.311 -1.095 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.624 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.83 -175.12 3.63 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.268 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.421 ' CE1' HD11 ' A' ' 41' ' ' ILE . 2.0 m-85 -83.62 140.96 31.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.082 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.523 ' HB2' HG22 ' A' ' 27' ' ' VAL . 10.8 mp -131.5 156.31 45.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.514 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.422 ' CD2' ' HB2' ' A' ' 22' ' ' TRP . 1.2 tp -94.02 142.08 27.79 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 179.069 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.408 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.1 OUTLIER -134.6 111.11 9.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.906 0.384 . . . . 0.0 111.301 -179.631 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -55.46 148.0 16.35 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.073 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 71.5 m -156.51 30.84 0.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.923 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -128.65 -149.8 7.04 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.581 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -81.88 174.1 11.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.815 0.341 . . . . 0.0 110.91 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 85.3 p -75.11 -40.75 59.66 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.7 tp -76.55 -34.43 58.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.956 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -121.56 78.43 1.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.798 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.429 ' HD3' ' CZ2' ' A' ' 22' ' ' TRP . 4.0 mttt -59.12 167.82 1.58 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.116 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -164.64 98.18 0.78 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.958 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.54 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 3.9 m95 -94.27 138.74 31.92 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.373 -179.002 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.5 152.32 27.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.492 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.28 124.61 21.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.943 0.402 . . . . 0.0 110.944 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -124.92 -177.02 3.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.689 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.5 ' CZ ' ' CD2' ' A' ' 44' ' ' TYR . 50.0 t80 -138.22 114.99 10.67 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.301 -179.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.523 HG22 ' HB2' ' A' ' 10' ' ' LEU . 1.9 t -121.73 146.81 26.24 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.319 0 CA-C-O 121.038 0.447 . . . . 0.0 111.908 -179.382 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 90.5 m -138.75 111.03 7.4 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.883 177.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.53 ' HB2' ' CZ3' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -89.34 117.45 28.3 Favored 'General case' 0 N--CA 1.445 -0.698 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 177.945 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.1 t -106.35 162.01 14.06 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.011 0.434 . . . . 0.0 111.303 -178.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.6 t -76.66 2.52 13.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.248 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 35.1 t-20 -91.06 26.04 2.27 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-O 120.826 0.346 . . . . 0.0 111.209 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 52.42 41.85 56.1 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.476 -0.869 . . . . 0.0 111.633 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.419 ' CE2' ' HB2' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -139.18 123.62 18.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.02 0.438 . . . . 0.0 111.479 -179.352 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.666 ' HG ' ' CZ3' ' A' ' 102' ' ' TRP . 2.7 tp -100.67 116.96 33.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.649 179.073 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.35 146.45 39.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.969 0.414 . . . . 0.0 111.546 -179.15 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.418 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -157.15 132.84 9.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.468 179.2 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.483 ' CD2' ' HA2' ' A' ' 50' ' ' GLY . 0.1 OUTLIER -120.95 160.77 43.5 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.824 -179.464 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_exo -51.01 -35.89 52.06 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.669 2.246 . . . . 0.0 112.353 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.9 t -163.76 -176.16 4.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.421 HD11 ' CE1' ' A' ' 9' ' ' PHE . 3.3 mp -63.26 -43.77 98.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.869 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.495 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 47.7 m-80 -51.83 -28.78 16.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.341 0.591 . . . . 0.0 110.136 179.232 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.417 ' HB2' ' CB ' ' A' ' 38' ' ' HIS . 1.3 m-20 -76.98 -37.79 54.45 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.638 179.533 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.5 ' CD2' ' CZ ' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -71.42 -51.32 24.59 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.25 0.548 . . . . 0.0 110.233 179.552 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.428 HG22 ' CD2' ' A' ' 46' ' ' HIS . 19.8 mt -59.9 -61.93 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.311 -0.858 . . . . 0.0 111.186 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.495 ' CD2' ' O ' ' A' ' 42' ' ' ASN . 13.1 m-70 -73.49 -24.47 60.19 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.766 -1.106 . . . . 0.0 112.212 -178.529 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.403 ' HA ' ' O ' ' A' ' 43' ' ' ASP . 2.7 t 77.8 74.02 0.06 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.868 0.366 . . . . 0.0 111.271 179.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.42 ' O ' ' HB2' ' A' ' 49' ' ' HIS . 27.3 p -120.87 124.44 45.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.624 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.42 ' HB2' ' O ' ' A' ' 48' ' ' THR . 1.3 m-70 71.11 -60.16 0.52 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.405 -179.432 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.483 ' HA2' ' CD2' ' A' ' 38' ' ' HIS . . . 44.9 89.42 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.256 0 CA-C-N 115.571 -0.741 . . . . 0.0 113.272 179.484 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.412 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -83.87 131.37 34.88 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.689 0.281 . . . . 0.0 110.681 179.623 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.419 ' HB2' ' CE2' ' A' ' 34' ' ' PHE . 0.4 OUTLIER -132.11 133.28 44.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.152 0.501 . . . . 0.0 110.947 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.549 ' CE ' ' CG ' ' A' ' 102' ' ' TRP . 0.5 OUTLIER -118.91 120.1 36.28 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.345 -179.75 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -56.57 130.96 47.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.605 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.438 ' O ' ' HA ' ' A' ' 123' ' ' ILE . 43.2 mt -95.09 24.18 5.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.42 -179.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 26.3 tp -83.02 -57.37 3.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.758 0.313 . . . . 0.0 110.751 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 65.5 mtm180 -119.38 55.54 0.95 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.387 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -106.18 162.12 13.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.095 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -131.98 168.86 17.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.761 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.6 t -127.0 125.0 65.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.812 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.4 mtmm -133.28 163.38 29.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.043 0.449 . . . . 0.0 111.355 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.424 ' CG1' ' HD2' ' A' ' 63' ' ' PRO . 36.8 t -116.11 138.62 24.3 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.753 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.424 ' HD2' ' CG1' ' A' ' 62' ' ' VAL . 10.6 Cg_endo -53.79 85.31 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.796 2.331 . . . . 0.0 112.752 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.35 -55.59 4.63 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.936 -0.649 . . . . 0.0 112.833 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.48 172.37 1.59 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.885 0.374 . . . . 0.0 111.104 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.427 ' HB3' ' HD2' ' A' ' 67' ' ' PRO . 19.9 mmm-85 -94.77 169.12 10.03 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.583 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.427 ' HD2' ' HB3' ' A' ' 66' ' ' ARG . 63.8 Cg_exo -52.09 134.14 48.87 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.375 2.05 . . . . 0.0 112.169 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.32 167.57 24.77 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.576 2.184 . . . . 0.0 112.397 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 24.8 mtt180 -145.42 107.85 4.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.896 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.91 -52.34 66.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.312 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.0 mt -53.09 145.87 2.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.084 -179.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 15.5 m -133.14 48.99 2.35 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.923 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.75 17.56 10.2 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.807 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -63.26 175.46 0.95 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -80.12 -164.52 30.14 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.473 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.08 115.59 2.25 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.588 2.192 . . . . 0.0 112.264 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 65.5 m -134.64 80.88 1.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.992 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -77.17 -29.46 54.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.122 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 35.0 t 62.39 79.09 0.27 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.831 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -80.07 97.42 1.65 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.568 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.8 m 60.88 100.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.759 0.314 . . . . 0.0 110.942 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.26 -177.26 5.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.096 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -111.65 -83.27 1.32 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.471 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -67.49 -30.08 69.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.806 0.336 . . . . 0.0 110.923 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 62.33 32.14 17.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -130.62 31.14 4.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.858 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -58.97 -24.05 62.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.089 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -83.89 10.6 9.33 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.606 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 10.9 p-10 -59.76 109.55 0.95 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.831 0.348 . . . . 0.0 110.64 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.455 ' CD2' ' HA ' ' A' ' 109' ' ' PHE . 3.7 m-30 -101.73 103.9 14.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.931 0.396 . . . . 0.0 111.137 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.435 ' HB3' ' HE1' ' A' ' 103' ' ' HIS . 12.5 mp0 -151.1 129.95 12.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.401 179.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 25.9 p90 -124.9 153.7 42.24 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.812 0.339 . . . . 0.0 111.238 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -118.76 143.45 46.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.161 -179.737 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.498 ' HB ' ' HB2' ' A' ' 102' ' ' TRP . 11.1 mm -114.35 108.68 26.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.461 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 90.1 t -101.53 133.87 43.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.94 0.4 . . . . 0.0 111.611 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.21 -173.94 2.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.249 179.239 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.53 -4.94 59.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.588 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 12.0 t -108.98 22.73 15.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.883 0.373 . . . . 0.0 111.266 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 80.64 -18.18 9.37 Favored Glycine 0 CA--C 1.521 0.455 0 C-N-CA 120.696 -0.764 . . . . 0.0 113.466 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.35 132.19 52.32 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 117.126 0.463 . . . . 0.0 110.702 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 94' ' ' ILE . 18.1 m -130.41 114.91 16.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.491 -179.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.666 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 36.1 m0 -93.66 105.66 17.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.171 179.083 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.54 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.8 OUTLIER -94.82 116.54 28.86 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.746 179.544 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.57 ' CZ ' ' HB3' ' A' ' 102' ' ' TRP . 19.7 m-85 -124.83 160.7 28.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.36 0.6 . . . . 0.0 112.006 -179.613 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.459 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 7.2 tm-20 -127.68 107.39 9.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.063 -0.971 . . . . 0.0 109.668 178.689 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -55.39 128.93 36.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.561 -179.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.63 -31.83 72.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.657 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.0 m -117.99 155.46 30.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.583 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.455 ' HA ' ' CD2' ' A' ' 90' ' ' PHE . 3.9 m-85 -65.99 -45.98 79.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.061 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.35 -32.83 74.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.893 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.42 -34.71 78.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.208 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.71 -49.36 75.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.02 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -68.04 -42.39 80.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.857 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 118' ' ' ALA . . . -55.12 -53.37 56.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.419 179.552 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.619 ' CH2' ' O ' ' A' ' 6' ' ' LYS . 55.6 m95 -57.87 -53.39 58.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.863 179.015 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 86.5 t -55.84 -33.54 34.93 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 CA-C-O 120.937 0.398 . . . . 0.0 110.104 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -80.03 -29.56 39.34 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.26 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.41 ' CB ' ' CG2' ' A' ' 5' ' ' ILE . . . -68.74 -47.22 66.87 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.038 0.447 . . . . 0.0 110.447 179.605 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 3.3 mp -66.01 -46.45 88.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.115 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -66.42 -32.88 74.53 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.185 179.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 28.8 t -68.44 -46.04 70.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.557 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -62.83 -33.91 76.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.302 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.438 ' HA ' ' O ' ' A' ' 55' ' ' LEU . 25.5 mt -74.26 -35.21 39.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.663 179.556 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 26.6 tp -68.76 -36.98 79.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.666 179.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.35 -31.44 58.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.021 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 37.6 m -80.82 -30.11 35.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.8 -30.69 69.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.806 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.937 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 120.896 0.379 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.47 140.95 29.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.034 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.2 mp -119.54 131.67 24.3 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.046 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -55.77 124.26 15.84 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.366 2.044 . . . . 0.0 112.473 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.627 ' O ' ' HD2' ' A' ' 6' ' ' LYS . 17.1 mm -82.79 -36.35 13.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.149 -0.932 . . . . 0.0 109.727 179.213 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.627 ' HD2' ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -174.1 111.55 0.17 Allowed 'General case' 0 CA--C 1.507 -0.708 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.986 177.943 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.491 ' HA ' ' HA ' ' A' ' 28' ' ' THR . 0.2 OUTLIER -121.34 108.09 13.29 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.665 178.948 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -156.0 -175.0 5.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.12 -179.42 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -84.71 144.89 28.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.273 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.499 ' HB2' HG23 ' A' ' 27' ' ' VAL . 10.9 mp -135.48 160.94 36.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.259 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.439 ' CD2' ' HB2' ' A' ' 22' ' ' TRP . 1.1 tp -97.61 142.05 29.9 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 179.068 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.448 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.0 OUTLIER -129.39 109.23 10.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.819 0.343 . . . . 0.0 111.155 -179.622 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.429 ' HB3' ' CE2' ' A' ' 22' ' ' TRP . 8.8 ptt180 -60.68 147.96 40.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 179.692 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 26.2 t -141.17 100.3 3.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 143.39 -140.08 9.35 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.512 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -95.74 -175.13 3.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.807 0.337 . . . . 0.0 110.964 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.6 t -82.61 -42.33 18.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.8 mp -62.75 -42.16 99.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.836 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -111.93 82.34 1.61 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.678 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -78.2 157.91 29.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.374 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -167.89 99.32 0.46 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.843 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.566 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 3.7 m95 -94.44 143.63 26.25 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.488 -178.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -118.51 157.19 27.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.507 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -63.21 127.85 33.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.096 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.413 ' HG3' ' HB2' ' A' ' 12' ' ' LYS . 19.4 mmtt -129.34 -176.27 3.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.691 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.484 ' O ' ' HA ' ' A' ' 37' ' ' TYR . 39.4 t80 -139.69 114.94 9.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.534 -179.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.499 HG23 ' HB2' ' A' ' 10' ' ' LEU . 2.0 t -120.19 148.85 23.06 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.267 0 CA-C-O 121.012 0.434 . . . . 0.0 111.784 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.491 ' HA ' ' HA ' ' A' ' 7' ' ' GLN . 85.4 m -138.65 110.66 7.27 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.867 178.467 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.564 ' HB3' ' HB ' ' A' ' 5' ' ' ILE . 0.2 OUTLIER -88.83 114.01 24.99 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 178.258 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.5 p -101.61 154.83 18.51 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.148 0.499 . . . . 0.0 111.729 -178.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.8 t -74.96 -1.18 21.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.066 179.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -91.08 26.1 2.26 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-O 120.772 0.32 . . . . 0.0 111.019 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 55.32 43.26 84.55 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.567 -0.825 . . . . 0.0 111.555 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.425 ' CE1' ' HB2' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -139.31 123.99 18.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.03 0.443 . . . . 0.0 111.654 -179.395 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.64 ' HG ' ' CZ3' ' A' ' 102' ' ' TRP . 1.1 tp -106.87 117.02 32.94 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.438 178.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.48 142.6 46.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.007 0.432 . . . . 0.0 111.664 -179.106 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.484 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.5 OUTLIER -145.45 125.63 13.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.51 179.161 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.497 ' HB3' ' CB ' ' A' ' 43' ' ' ASP . 1.2 m80 -113.47 159.97 33.34 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.67 -179.468 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_exo -47.19 -49.88 12.08 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.627 2.218 . . . . 0.0 112.57 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.7 t -156.35 -173.03 4.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.132 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.4 mp -60.98 -43.25 95.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.518 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 21.9 m-80 -51.93 -26.94 11.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.286 0.565 . . . . 0.0 110.088 179.231 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.497 ' CB ' ' HB3' ' A' ' 38' ' ' HIS . 5.1 m-20 -76.98 -41.01 44.74 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.756 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -70.94 -51.31 26.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.271 0.558 . . . . 0.0 109.956 179.406 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.44 HG22 ' CD2' ' A' ' 46' ' ' HIS . 23.9 mt -56.37 -61.8 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.979 179.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.518 ' CD2' ' O ' ' A' ' 42' ' ' ASN . 15.5 m-70 -73.64 -24.99 60.09 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.942 -1.026 . . . . 0.0 111.831 -178.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 m 75.72 73.35 0.09 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.893 0.377 . . . . 0.0 112.008 178.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.444 ' CG2' ' HA ' ' A' ' 43' ' ' ASP . 30.8 p -89.34 -154.22 0.3 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.049 178.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 12.7 t-160 -39.18 -56.73 1.44 Allowed 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.918 0.39 . . . . 0.0 111.45 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.45 ' HA2' ' CD2' ' A' ' 38' ' ' HIS . . . 57.39 99.13 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.719 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.428 ' HB3' ' CD1' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -79.2 137.79 37.57 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.781 0.324 . . . . 0.0 111.108 -179.888 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.425 ' HB2' ' CE1' ' A' ' 34' ' ' PHE . 1.1 pt-20 -130.56 133.05 45.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.487 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.529 ' CE ' ' CG ' ' A' ' 102' ' ' TRP . 0.7 OUTLIER -118.36 122.49 42.98 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.591 -179.619 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.66 131.95 52.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.416 179.65 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.428 ' HA ' ' OG1' ' A' ' 58' ' ' THR . 14.4 mt -95.07 23.86 5.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.347 -179.565 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.15 -56.31 3.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.781 0.324 . . . . 0.0 110.82 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -121.0 53.54 1.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.992 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.428 ' OG1' ' HA ' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -106.93 161.96 14.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 179.911 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.97 165.44 23.14 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.826 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.9 m -129.81 131.11 66.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.593 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.426 ' O ' ' HB2' ' A' ' 93' ' ' LEU . 17.0 ptpt -154.09 164.75 37.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.104 0.478 . . . . 0.0 111.813 -179.365 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 28.8 t -121.47 139.1 29.18 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.506 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.421 ' HG3' ' NE2' ' A' ' 103' ' ' HIS . 87.3 Cg_endo -86.21 141.86 7.16 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 122.537 2.158 . . . . 0.0 112.565 -179.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.04 -53.53 4.66 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.504 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.52 166.62 22.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.736 0.303 . . . . 0.0 110.997 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.6 mtm180 -71.15 163.16 67.96 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.868 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -57.15 118.75 5.67 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.592 2.195 . . . . 0.0 112.089 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -50.58 139.5 38.3 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.612 2.208 . . . . 0.0 112.454 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -65.16 151.29 46.46 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.804 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.85 -50.58 16.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.047 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.0 mp -89.37 -49.32 14.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.19 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 58.33 84.97 0.1 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.945 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.77 17.64 10.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.745 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER 59.82 79.84 0.22 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -93.18 -177.75 40.4 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.478 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -52.33 173.17 0.13 Allowed 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.507 2.138 . . . . 0.0 112.272 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 98.2 p -153.04 142.99 22.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.54 -31.32 60.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.39 88.45 2.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -92.67 55.69 2.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.534 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.1 t -155.5 91.0 1.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.746 0.308 . . . . 0.0 110.93 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 59.88 -175.93 0.1 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.038 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 90.7 76.45 1.32 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.497 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.18 74.81 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.794 0.33 . . . . 0.0 110.855 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -121.2 117.84 28.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.999 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 59.44 31.06 20.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.783 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -61.08 -24.22 66.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.048 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -83.62 56.25 3.54 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.13 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 18.8 p-10 -105.44 104.39 14.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.431 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.509 ' CE1' ' CD2' ' A' ' 109' ' ' PHE . 4.6 m-85 -87.62 103.89 16.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.23 -179.534 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.404 ' HB3' ' HE1' ' A' ' 103' ' ' HIS . 26.0 mt-10 -146.63 132.78 19.35 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.458 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -128.47 148.79 50.75 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.89 0.376 . . . . 0.0 111.608 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.426 ' HB2' ' O ' ' A' ' 61' ' ' LYS . 3.6 mt -110.74 142.84 42.14 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.978 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.532 ' HB ' ' HB2' ' A' ' 102' ' ' TRP . 10.3 mm -115.33 108.49 25.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.254 179.419 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 99.6 t -98.56 128.51 50.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.993 0.425 . . . . 0.0 111.655 -179.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.47 -174.08 3.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.285 179.333 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 25.8 t -83.63 -20.2 34.09 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.2 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.5 t -100.21 24.11 9.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.857 0.361 . . . . 0.0 111.044 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 83.79 -20.53 11.83 Favored Glycine 0 CA--C 1.52 0.385 0 C-N-CA 120.657 -0.782 . . . . 0.0 113.292 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -48.51 124.99 8.97 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 117.1 0.45 . . . . 0.0 110.756 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' A' ' 94' ' ' ILE . 10.9 m -125.08 114.83 19.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.044 0.45 . . . . 0.0 111.833 -179.304 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.64 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 35.7 m0 -96.74 109.08 21.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.385 178.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.566 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.8 OUTLIER -99.11 116.5 31.48 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.731 179.341 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.589 ' CZ ' ' HB3' ' A' ' 102' ' ' TRP . 15.3 m-85 -125.47 160.17 30.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.361 0.6 . . . . 0.0 112.044 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.459 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 0.1 OUTLIER -127.68 105.79 8.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.56 178.655 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -52.75 127.94 24.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.67 -179.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.65 -27.55 62.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.748 179.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.57 159.12 24.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.537 179.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.509 ' CD2' ' CE1' ' A' ' 90' ' ' PHE . 2.5 m-30 -65.8 -55.66 15.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.051 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -64.43 -32.54 74.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.057 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -56.51 -42.6 78.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.321 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.416 ' HD3' ' CD2' ' A' ' 90' ' ' PHE . 2.1 ttp85 -56.85 -49.73 74.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.777 0.322 . . . . 0.0 111.097 -179.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -62.66 -40.79 98.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.454 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.43 ' CB ' ' CE ' ' A' ' 6' ' ' LYS . . . -59.41 -53.4 58.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.201 179.215 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.59 ' CH2' ' O ' ' A' ' 6' ' ' LYS . 45.4 m95 -56.5 -50.57 71.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.625 178.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.402 HG22 ' CZ ' ' A' ' 112' ' ' ARG . 60.5 t -57.06 -35.4 47.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.798 179.654 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.31 -33.89 49.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.578 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.537 ' HB2' ' HD3' ' A' ' 6' ' ' LYS . . . -67.42 -44.74 78.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.973 0.416 . . . . 0.0 110.29 179.393 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.443 ' CD1' HD22 ' A' ' 29' ' ' LEU . 1.6 mp -62.85 -50.93 77.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.736 178.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -65.33 -32.72 74.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.049 179.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 28.2 t -67.65 -44.06 78.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.505 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 66.7 mm-40 -64.19 -31.93 73.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.428 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 119' ' ' ILE . 21.5 mt -68.98 -44.42 81.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.099 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.9 tt -64.72 -36.5 84.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.617 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.33 -31.16 57.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.95 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 4.5 m -78.24 -29.82 48.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 3.0 mt -75.49 -73.5 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.855 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.209 -0.901 . . . . 0.0 110.864 -179.941 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.82 0.343 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -119.69 172.67 7.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 10.6 mt -132.95 133.04 22.77 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.821 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -58.75 127.72 25.49 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.302 2.001 . . . . 0.0 112.283 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.492 ' N ' ' O ' ' A' ' 29' ' ' LEU . 18.4 mm -93.27 -19.72 6.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.275 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.612 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 0.0 OUTLIER 175.87 110.52 0.02 OUTLIER 'General case' 0 C--O 1.216 -0.705 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.122 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -131.31 114.64 15.26 Favored 'General case' 0 C--N 1.312 -1.039 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.577 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.25 -175.15 1.88 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.313 -179.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.406 ' CE1' HD13 ' A' ' 41' ' ' ILE . 3.8 m-85 -81.85 131.82 35.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.235 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.435 ' HB2' ' CG2' ' A' ' 27' ' ' VAL . 4.5 mp -125.27 153.66 42.88 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.341 179.585 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.478 ' HG ' ' CB ' ' A' ' 22' ' ' TRP . 1.5 tp -90.52 132.1 35.88 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.21 179.365 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.418 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.1 OUTLIER -118.48 110.41 17.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.127 -179.391 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.441 ' HB3' ' CE2' ' A' ' 22' ' ' TRP . 3.2 ptt180 -57.99 148.09 27.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.953 179.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.6 t -151.49 118.37 5.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 131.89 -152.62 20.18 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.582 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -80.38 168.96 18.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.782 0.325 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.1 t -73.0 -37.93 66.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 tt -67.75 -40.43 84.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -114.46 94.93 5.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.612 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.45 ' HD3' ' CZ2' ' A' ' 22' ' ' TRP . 18.5 mttt -81.28 159.77 24.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.23 -179.756 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -163.55 98.3 0.89 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.772 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.522 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 3.2 m95 -94.08 128.12 40.29 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.31 -178.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.88 160.12 15.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.302 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.0 mmtm -63.01 122.59 16.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.956 0.408 . . . . 0.0 110.734 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.3 tptt -122.21 179.78 4.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.713 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.52 ' CE1' ' CG ' ' A' ' 44' ' ' TYR . 46.7 t80 -139.27 115.1 10.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.245 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.437 ' HB ' ' CH2' ' A' ' 115' ' ' TRP . 2.0 t -122.7 147.53 26.85 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.316 0 CA-C-O 120.973 0.416 . . . . 0.0 111.808 -179.18 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 91.5 m -138.81 110.52 7.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.032 177.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.554 ' HB2' ' CZ3' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -89.44 115.57 26.98 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 177.822 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 29.0 t -105.47 160.77 14.89 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.028 0.442 . . . . 0.0 111.383 -178.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.4 t -76.19 2.24 13.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.278 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -89.84 26.12 1.89 Allowed 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.748 0.308 . . . . 0.0 111.357 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 53.61 39.88 61.67 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.659 -0.782 . . . . 0.0 111.699 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.445 ' CE1' ' HB3' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -138.94 127.73 23.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.09 0.471 . . . . 0.0 111.359 -179.423 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.67 ' HG ' ' CZ3' ' A' ' 102' ' ' TRP . 1.6 tp -105.46 116.96 32.83 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.519 179.042 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.411 ' CD2' ' CG ' ' A' ' 52' ' ' GLU . 0.5 OUTLIER -112.83 147.66 36.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.048 0.451 . . . . 0.0 111.569 -179.002 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.466 ' CE1' ' CB ' ' A' ' 51' ' ' LYS . 0.3 OUTLIER -156.07 129.87 8.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.484 179.251 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.482 ' CD2' ' HA2' ' A' ' 50' ' ' GLY . 0.1 OUTLIER -120.03 158.39 50.43 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.737 -179.478 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -48.5 -42.02 35.76 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.715 2.276 . . . . 0.0 112.478 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 25.0 t -155.84 -172.43 4.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.811 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.406 HD13 ' CE1' ' A' ' 9' ' ' PHE . 3.2 mp -66.68 -43.25 90.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.799 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.497 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 43.6 m-80 -52.04 -28.34 16.9 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.289 0.566 . . . . 0.0 110.116 179.12 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.404 ' CB ' ' HB3' ' A' ' 38' ' ' HIS . 1.3 m-20 -76.9 -39.09 52.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.776 179.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.52 ' CG ' ' CE1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -70.49 -51.23 30.5 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.205 0.526 . . . . 0.0 110.177 179.511 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.431 HG13 ' CD2' ' A' ' 44' ' ' TYR . 21.5 mt -59.57 -62.17 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.195 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.497 ' CD2' ' O ' ' A' ' 42' ' ' ASN . 13.8 m-70 -73.53 -24.59 60.16 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.798 -1.092 . . . . 0.0 112.231 -178.497 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.402 ' HA ' ' O ' ' A' ' 43' ' ' ASP . 1.8 m 77.72 74.21 0.06 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.896 0.379 . . . . 0.0 111.316 179.573 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 34.7 p -118.95 119.68 35.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 71.78 -59.84 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.541 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.482 ' HA2' ' CD2' ' A' ' 38' ' ' HIS . . . 45.29 90.06 0.01 OUTLIER Glycine 0 N--CA 1.453 -0.189 0 CA-C-N 115.466 -0.788 . . . . 0.0 113.219 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.466 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -80.54 130.29 35.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.735 0.302 . . . . 0.0 110.608 179.615 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.445 ' HB3' ' CE1' ' A' ' 34' ' ' PHE . 2.6 mt-10 -125.34 147.5 49.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.084 0.468 . . . . 0.0 110.953 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.582 ' HE3' ' CD2' ' A' ' 102' ' ' TRP . 0.6 OUTLIER -130.87 116.07 17.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.754 -179.741 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.4 p-10 -56.77 125.62 23.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.395 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.434 ' O ' ' HA ' ' A' ' 123' ' ' ILE . 80.9 mt -93.74 33.05 1.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.533 -179.403 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.31 -53.69 5.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.834 0.35 . . . . 0.0 110.761 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.78 54.46 1.93 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.691 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.74 162.01 13.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.789 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.96 173.81 9.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.434 ' HA ' ' O ' ' A' ' 93' ' ' LEU . 22.1 t -141.76 126.51 17.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.649 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.82 164.51 36.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.168 0.509 . . . . 0.0 111.896 -179.434 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.426 ' CG1' ' HD2' ' A' ' 63' ' ' PRO . 3.4 t -119.67 142.03 32.15 Favored Pre-proline 0 C--N 1.332 -0.19 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.362 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.426 ' HD2' ' CG1' ' A' ' 62' ' ' VAL . 63.3 Cg_exo -51.66 90.32 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.334 2.022 . . . . 0.0 112.511 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.25 43.99 64.51 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.617 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.43 120.76 20.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.873 0.368 . . . . 0.0 110.978 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.431 ' HB2' ' HD2' ' A' ' 67' ' ' PRO . 9.0 ptp180 -57.98 164.98 2.85 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.763 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.431 ' HD2' ' HB2' ' A' ' 66' ' ' ARG . 77.5 Cg_exo -52.05 118.68 4.78 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.44 2.094 . . . . 0.0 112.124 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -66.98 59.52 0.58 Allowed 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.674 2.249 . . . . 0.0 112.99 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.67 75.05 10.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.736 179.601 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.08 -31.63 63.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.282 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.3 mp -82.41 -67.11 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.075 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.34 101.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.116 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.91 17.7 10.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.789 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -71.86 80.79 0.89 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.83 -170.61 39.95 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.415 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.64 -171.04 0.5 Allowed 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.454 2.103 . . . . 0.0 112.331 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.9 m -105.44 143.19 33.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.28 -44.73 51.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.166 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.6 m 56.65 83.89 0.09 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.968 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 172.31 -125.57 1.18 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.459 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 74.4 p -88.82 132.83 34.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.761 0.315 . . . . 0.0 110.83 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -175.69 -175.49 0.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.03 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -59.03 132.04 52.31 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.346 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -120.45 72.79 0.97 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.949 0.404 . . . . 0.0 110.916 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -97.19 115.91 28.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.184 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -98.7 31.48 2.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.818 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -66.3 -54.78 20.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.956 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 53.6 25.83 5.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.028 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -80.95 106.24 12.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.739 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.498 ' CZ ' ' CD2' ' A' ' 109' ' ' PHE . 4.2 m-85 -94.86 103.8 15.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.31 -179.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.406 ' HB3' ' HE1' ' A' ' 103' ' ' HIS . 15.9 mp0 -151.05 139.25 20.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.253 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -133.38 145.63 50.51 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.96 0.409 . . . . 0.0 111.323 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.438 ' HG ' ' CG ' ' A' ' 103' ' ' HIS . 0.8 OUTLIER -109.11 139.67 43.7 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.072 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.47 ' O ' ' HA ' ' A' ' 101' ' ' THR . 12.2 mm -110.31 108.46 25.48 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.09 179.543 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 87.3 t -103.38 134.66 43.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.219 0.533 . . . . 0.0 112.169 -179.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.41 ' OG ' ' N ' ' A' ' 97' ' ' SER . 0.1 OUTLIER -102.38 179.27 4.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.45 -0.796 . . . . 0.0 109.871 178.825 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.41 ' N ' ' OG ' ' A' ' 96' ' ' SER . 0.0 OUTLIER -80.74 -6.45 58.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.68 -0.236 . . . . 0.0 111.513 -179.808 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 11.3 t -108.22 22.26 16.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.991 0.424 . . . . 0.0 111.212 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 82.69 -21.21 7.83 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 120.732 -0.747 . . . . 0.0 113.272 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -52.05 123.39 10.37 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.954 0.377 . . . . 0.0 110.721 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.47 ' HA ' ' O ' ' A' ' 94' ' ' ILE . 8.8 m -127.83 114.68 17.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.973 0.416 . . . . 0.0 111.597 -179.498 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.67 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 35.7 m0 -97.71 108.02 20.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.31 178.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.522 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.8 OUTLIER -97.78 116.3 29.72 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.718 179.357 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.572 ' CZ ' ' HB3' ' A' ' 102' ' ' TRP . 19.0 m-85 -123.27 166.93 14.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.307 0.575 . . . . 0.0 111.638 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.409 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 0.4 OUTLIER -132.23 106.18 7.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.953 179.087 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -52.39 127.94 23.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.649 -179.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.31 -27.47 67.35 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.739 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.21 158.58 29.11 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.678 179.726 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.498 ' CD2' ' CZ ' ' A' ' 90' ' ' PHE . 2.7 m-85 -66.16 -43.27 87.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.038 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -73.48 -32.82 64.51 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.009 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -61.05 -39.26 89.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.183 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 -56.76 -49.47 75.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.133 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.26 -47.3 84.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.962 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -53.28 -52.39 59.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.742 0.306 . . . . 0.0 110.573 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.612 ' CH2' ' O ' ' A' ' 6' ' ' LYS . 52.3 m95 -56.6 -52.29 65.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.973 179.088 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 66.7 t -55.35 -36.53 40.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.928 0.394 . . . . 0.0 110.302 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -78.79 -29.41 44.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.517 179.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.404 ' CB ' ' CG2' ' A' ' 5' ' ' ILE . . . -67.21 -48.42 67.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.169 0.509 . . . . 0.0 110.393 179.469 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.422 HG13 HD22 ' A' ' 29' ' ' LEU . 3.1 mp -63.79 -49.84 80.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.113 179.232 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -64.04 -32.7 74.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.943 0.401 . . . . 0.0 110.207 179.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.8 m -64.93 -44.42 89.53 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.774 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.406 ' NE2' HG13 ' A' ' 5' ' ' ILE . 0.8 OUTLIER -68.33 -33.07 73.64 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.678 179.872 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.434 ' HA ' ' O ' ' A' ' 55' ' ' LEU . 20.2 mt -74.18 -36.51 43.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.785 179.509 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.75 -35.04 76.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.657 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.4 -33.6 58.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.95 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 8.5 t -77.7 -30.32 51.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.6 mt -69.67 -43.93 71.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.995 0.426 . . . . 0.0 110.856 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.88 179.886 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.488 1.449 0 CA-C-O 120.857 0.36 . . . . 0.0 111.179 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.64 146.52 46.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.151 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.414 ' CG2' ' HD2' ' A' ' 4' ' ' PRO . 15.0 mt -124.7 136.34 27.8 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.813 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.414 ' HD2' ' CG2' ' A' ' 3' ' ' ILE . 36.2 Cg_endo -65.91 127.08 17.03 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.348 2.032 . . . . 0.0 112.332 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.517 ' N ' ' O ' ' A' ' 29' ' ' LEU . 29.1 mm -90.06 -20.55 6.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.183 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.618 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 0.0 OUTLIER 178.98 110.54 0.03 OUTLIER 'General case' 0 C--O 1.216 -0.677 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.04 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.409 ' HA ' ' HA ' ' A' ' 28' ' ' THR . 10.7 pt20 -131.17 111.67 12.16 Favored 'General case' 0 C--N 1.312 -1.043 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.705 179.43 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.3 m -168.48 -175.1 2.4 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.415 ' CE1' HD12 ' A' ' 41' ' ' ILE . 1.5 m-85 -79.34 132.21 36.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.064 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.44 ' HB2' ' CG2' ' A' ' 27' ' ' VAL . 4.5 mp -126.6 146.88 49.99 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.598 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.433 ' CD2' ' HB2' ' A' ' 22' ' ' TRP . 1.1 mp -81.9 135.81 35.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.15 179.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.24 114.81 16.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.945 0.403 . . . . 0.0 111.234 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.442 ' CB ' ' HD2' ' A' ' 20' ' ' LYS . 11.6 ptt180 -53.25 148.1 9.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.183 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 59.5 p -112.93 -52.25 2.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.96 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -165.76 -172.84 33.61 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.628 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 64.03 128.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.856 0.36 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.3 p -86.53 -57.25 3.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.015 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.1 mt -59.05 -57.44 13.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.855 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -107.4 77.1 1.12 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.447 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.443 ' HA ' ' HD3' ' A' ' 20' ' ' LYS . 6.9 mmtt -52.25 -177.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.491 -179.467 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -164.32 98.01 0.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.196 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.56 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 3.2 m95 -98.5 126.95 44.24 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.218 -179.261 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.6 152.56 18.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.588 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.01 111.93 2.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.748 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.77 -174.06 2.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.776 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.503 ' CE1' ' CG ' ' A' ' 44' ' ' TYR . 50.8 t80 -141.27 117.16 10.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.515 -179.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.44 ' CG2' ' HB2' ' A' ' 10' ' ' LEU . 2.0 t -124.88 147.92 29.4 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.31 0 CA-C-O 120.961 0.41 . . . . 0.0 111.751 -179.491 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.409 ' HA ' ' HA ' ' A' ' 7' ' ' GLN . 87.4 m -138.83 110.98 7.33 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.863 177.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.571 ' HB2' ' CZ3' ' A' ' 115' ' ' TRP . 0.1 OUTLIER -88.98 115.88 26.86 Favored 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 178.19 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.9 t -104.05 162.58 13.04 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.917 0.389 . . . . 0.0 111.402 -178.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.6 t -80.51 4.36 18.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.18 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -91.63 26.25 2.4 Favored 'General case' 0 CA--C 1.522 -0.112 0 CA-C-O 120.805 0.336 . . . . 0.0 111.283 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 54.63 37.25 60.63 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.51 -0.853 . . . . 0.0 111.545 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.434 ' CE2' ' HB2' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -139.46 133.86 31.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.994 0.426 . . . . 0.0 111.373 -179.536 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.603 ' HG ' ' CZ3' ' A' ' 102' ' ' TRP . 1.3 tp -113.98 117.0 30.11 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.856 179.053 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -112.96 151.34 30.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.058 -179.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.426 ' CD1' ' HB2' ' A' ' 51' ' ' LYS . 0.2 OUTLIER -158.7 136.32 10.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.716 179.549 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.485 ' CD2' ' HA2' ' A' ' 50' ' ' GLY . 0.2 OUTLIER -118.58 160.27 40.73 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.852 -179.684 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.07 -34.95 70.36 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.584 2.19 . . . . 0.0 112.299 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.23 179.58 8.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.676 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.415 HD12 ' CE1' ' A' ' 9' ' ' PHE . 3.3 mp -61.7 -43.98 98.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.868 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.507 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 9.5 m-20 -51.88 -28.6 16.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.4 0.619 . . . . 0.0 110.127 179.185 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.44 ' CB ' ' HB3' ' A' ' 38' ' ' HIS . 1.4 m-20 -76.96 -39.38 50.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.748 179.534 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.503 ' CG ' ' CE1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -70.57 -51.28 29.48 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.268 0.556 . . . . 0.0 110.199 179.528 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.435 HG22 ' CD2' ' A' ' 46' ' ' HIS . 22.2 mt -58.75 -61.8 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.132 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.507 ' CD2' ' O ' ' A' ' 42' ' ' ASN . 14.0 m-70 -73.52 -24.52 60.16 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.797 -1.092 . . . . 0.0 112.075 -178.693 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.402 ' CB ' ' O ' ' A' ' 46' ' ' HIS . 4.2 t 78.61 74.95 0.05 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.881 0.372 . . . . 0.0 111.557 179.29 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 41.7 p -121.18 116.01 24.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 179.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.42 ' CE1' ' HE3' ' A' ' 51' ' ' LYS . 0.7 OUTLIER 75.8 -61.24 0.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.412 -179.644 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.485 ' HA2' ' CD2' ' A' ' 38' ' ' HIS . . . 43.24 88.39 0.01 OUTLIER Glycine 0 N--CA 1.453 -0.208 0 CA-C-N 115.409 -0.814 . . . . 0.0 113.298 179.46 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.426 ' HB2' ' CD1' ' A' ' 37' ' ' TYR . 0.4 OUTLIER -74.6 159.06 32.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.754 0.311 . . . . 0.0 110.519 179.561 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.46 ' HA ' ' O ' ' A' ' 35' ' ' LEU . 4.0 pt-20 -161.75 154.02 19.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.984 0.421 . . . . 0.0 110.893 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.56 ' HE2' ' CE2' ' A' ' 102' ' ' TRP . 7.2 ptp -142.66 152.9 42.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.247 -179.587 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.17 124.22 29.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.815 178.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.444 ' O ' ' HA ' ' A' ' 123' ' ' ILE . 8.6 mt -90.15 22.41 3.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.687 -179.345 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.6 tt -83.19 -40.86 19.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.722 0.296 . . . . 0.0 110.916 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 30.1 mtp85 -130.83 43.95 3.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.035 0.445 . . . . 0.0 110.955 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.406 ' OG1' ' HA ' ' A' ' 55' ' ' LEU . 0.6 OUTLIER -92.15 161.9 14.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.985 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.41 165.28 24.64 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.456 179.541 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.406 ' HA ' ' O ' ' A' ' 93' ' ' LEU . 2.7 m -130.86 130.38 64.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.735 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -138.33 164.48 29.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.077 0.465 . . . . 0.0 111.546 -179.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 24.3 t -132.48 122.17 17.79 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.627 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -87.88 122.57 1.63 Allowed 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 122.758 2.305 . . . . 0.0 113.116 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.38 -55.25 5.02 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.904 -0.665 . . . . 0.0 113.081 179.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.13 150.51 35.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.885 0.374 . . . . 0.0 111.26 -179.538 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.415 ' CB ' ' HD2' ' A' ' 67' ' ' PRO . 19.7 mtp180 -78.01 166.22 45.03 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.71 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.415 ' HD2' ' CB ' ' A' ' 66' ' ' ARG . 9.7 Cg_endo -53.01 118.79 5.17 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.472 2.115 . . . . 0.0 112.048 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.51 140.52 40.05 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.46 2.107 . . . . 0.0 112.333 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 69.9 mtt-85 -64.28 147.53 52.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.84 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.1 -52.22 15.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.075 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 25.7 mt -137.85 -66.4 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.205 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.7 m -163.86 110.21 1.09 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.028 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.74 17.66 10.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.708 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 1.1 t80 62.74 94.09 0.05 OUTLIER 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.932 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -136.82 -177.94 15.42 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.445 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.5 -27.71 33.25 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.516 2.144 . . . . 0.0 112.359 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.0 p -67.18 84.91 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.859 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -90.23 -63.42 1.28 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.101 0.477 . . . . 0.0 111.128 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.65 -155.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.558 -179.632 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 70.27 -109.02 2.68 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.499 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.04 -174.59 3.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.791 0.329 . . . . 0.0 110.78 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -169.12 86.91 0.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.057 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -95.27 23.07 35.2 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.616 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -126.12 -43.16 1.82 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.925 0.393 . . . . 0.0 110.943 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -101.34 116.91 33.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.018 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.28 48.03 0.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.989 0.423 . . . . 0.0 110.85 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -59.47 -43.72 93.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.915 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.421 ' HA ' ' CE2' ' A' ' 109' ' ' PHE . 8.9 pt-20 43.84 61.52 2.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.527 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -139.51 103.49 4.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.788 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.567 ' CD1' ' N ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -123.69 109.64 13.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.031 -179.823 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -143.49 129.99 20.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.364 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.419 ' CE1' HD13 ' A' ' 94' ' ' ILE . 13.5 p90 -125.34 147.04 49.3 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.994 0.426 . . . . 0.0 111.319 -179.553 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.406 ' O ' ' HA ' ' A' ' 60' ' ' VAL . 5.6 mt -107.11 140.26 40.22 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.654 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.443 HD12 HG23 ' A' ' 94' ' ' ILE . 11.4 mm -116.69 112.29 38.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.869 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 62.0 t -102.77 127.65 56.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.853 0.359 . . . . 0.0 111.421 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 36.9 t -89.7 -175.29 4.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.472 179.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.8 t -82.0 -12.98 58.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.372 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.1 t -102.89 24.51 10.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.852 0.358 . . . . 0.0 111.155 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 77.73 -8.47 35.41 Favored Glycine 0 CA--C 1.521 0.426 0 C-N-CA 120.764 -0.731 . . . . 0.0 113.46 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.79 141.51 55.14 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 117.267 0.534 . . . . 0.0 110.529 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 4.3 m -134.93 114.88 12.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.95 0.405 . . . . 0.0 111.665 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.603 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 33.7 m0 -101.21 105.68 16.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.572 179.233 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.56 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.8 OUTLIER -91.26 116.34 28.75 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.556 -0.457 . . . . 0.0 110.275 179.136 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.534 ' CZ ' ' HB3' ' A' ' 102' ' ' TRP . 21.8 m-85 -123.01 161.19 24.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.395 0.617 . . . . 0.0 112.003 -179.537 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.444 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 34.1 tt0 -131.8 104.27 6.79 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.21 -0.905 . . . . 0.0 109.66 178.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.419 ' CB ' ' CA ' ' A' ' 112' ' ' ARG . . . -49.35 126.02 12.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.866 -179.09 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.96 -31.38 72.47 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.315 179.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -119.29 146.65 45.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.445 179.425 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.557 ' CE1' ' CD1' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -61.01 -34.38 74.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.319 -179.564 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -73.72 -32.66 64.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.929 0.395 . . . . 0.0 110.841 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -71.3 -34.35 70.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.385 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.419 ' CA ' ' CB ' ' A' ' 106' ' ' ALA . 0.0 OUTLIER -56.8 -42.38 79.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.723 0.297 . . . . 0.0 110.957 -179.636 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -74.65 -46.53 37.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.583 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 118' ' ' ALA . . . -52.71 -52.79 54.63 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.29 179.432 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.618 ' CH2' ' O ' ' A' ' 6' ' ' LYS . 52.8 m95 -56.76 -55.48 33.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.853 179.008 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 75.6 t -54.06 -34.81 27.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 CA-C-O 121.072 0.463 . . . . 0.0 110.056 179.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.492 ' HA ' ' HG2' ' A' ' 120' ' ' GLU . 10.1 mt-30 -79.09 -27.8 42.98 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.26 178.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 114' ' ' ALA . . . -71.57 -42.81 67.34 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.448 179.508 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 2.7 mp -67.01 -49.31 74.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.256 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.492 ' HG2' ' HA ' ' A' ' 117' ' ' GLN . 12.6 pt-20 -66.16 -32.68 74.26 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.904 0.383 . . . . 0.0 110.17 179.139 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 9.8 t -64.2 -41.48 97.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.309 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -67.85 -34.23 76.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.393 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.444 ' HA ' ' O ' ' A' ' 55' ' ' LEU . 12.3 mt -70.46 -37.67 71.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.967 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 10.0 tp -68.56 -39.33 81.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.3 -29.16 57.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.043 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.1 m -84.05 -29.46 26.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.048 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.3 mt -59.18 -42.49 90.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.982 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.299 -0.858 . . . . 0.0 110.945 179.987 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.6 tpp180 . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.924 0.392 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.55 165.72 14.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 21.0 mm -128.64 144.06 50.81 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.807 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -70.22 127.88 14.83 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.589 2.193 . . . . 0.0 112.393 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.469 ' N ' ' O ' ' A' ' 29' ' ' LEU . 1.4 mp -91.91 -19.81 6.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.018 179.526 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.604 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 0.0 OUTLIER -178.44 110.1 0.06 Allowed 'General case' 0 C--O 1.219 -0.54 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.044 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -131.61 116.2 17.08 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-O 120.867 0.365 . . . . 0.0 110.242 178.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.8 p -171.12 -175.98 1.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.383 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.456 ' CE1' ' CG1' ' A' ' 41' ' ' ILE . 2.2 m-30 -80.83 122.53 27.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.156 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.485 ' HB2' ' CG2' ' A' ' 27' ' ' VAL . 4.7 mp -115.62 156.51 25.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.424 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.43 ' O ' ' HA ' ' A' ' 104' ' ' PHE . 1.2 tp -94.86 130.38 41.47 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.361 179.325 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.459 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.1 OUTLIER -113.3 112.43 23.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.887 0.375 . . . . 0.0 110.924 -179.678 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.8 ttp180 -59.26 148.01 33.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.876 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.9 m -154.68 84.23 1.1 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.974 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 164.38 -103.95 0.22 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.456 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -157.1 -176.6 6.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.795 0.331 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.45 -43.26 27.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.2 tt -60.24 -36.12 77.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.829 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -137.23 75.89 1.55 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.678 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.5 168.48 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.141 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -177.45 102.57 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.11 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.568 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 3.3 m95 -105.1 150.58 24.89 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.44 -179.019 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.63 153.12 38.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.491 179.564 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.17 120.87 12.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.907 0.384 . . . . 0.0 111.08 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.454 ' HE2' ' CE2' ' A' ' 37' ' ' TYR . 4.4 mmmm -126.62 166.77 16.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.409 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.485 ' CE1' ' CG ' ' A' ' 44' ' ' TYR . 47.6 t80 -123.26 115.28 21.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.609 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.485 ' CG2' ' HB2' ' A' ' 10' ' ' LEU . 1.9 t -119.82 149.3 22.5 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.336 0 CA-C-O 121.053 0.454 . . . . 0.0 111.515 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 93.6 m -138.67 121.36 16.36 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.121 177.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.49 ' HB2' ' CZ3' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -99.65 113.16 25.42 Favored 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 178.206 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.5 t -103.09 164.08 11.83 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.138 0.494 . . . . 0.0 111.364 -178.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.434 ' CA ' HD13 ' A' ' 5' ' ' ILE . 6.6 t -80.55 4.84 17.09 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.178 179.61 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -92.99 26.06 2.96 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.751 0.31 . . . . 0.0 111.153 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 53.16 41.42 61.0 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.681 -0.771 . . . . 0.0 111.951 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.414 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -139.26 126.86 21.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.007 0.432 . . . . 0.0 111.513 -179.397 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.67 ' HG ' ' CZ3' ' A' ' 102' ' ' TRP . 1.6 tp -106.43 117.22 33.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.664 179.068 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.48 144.55 43.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.017 0.437 . . . . 0.0 111.64 -179.095 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.454 ' CE2' ' HE2' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -150.1 125.14 9.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.403 179.175 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.464 ' HB3' ' CB ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -114.98 161.78 27.42 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.76 -179.184 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -47.4 -51.8 8.98 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.667 2.245 . . . . 0.0 112.731 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.32 -171.49 3.93 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.098 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.456 ' CG1' ' CE1' ' A' ' 9' ' ' PHE . 3.2 mp -64.28 -41.32 92.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.954 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.511 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 1.5 m120 -51.83 -27.17 11.63 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.349 0.595 . . . . 0.0 110.004 179.179 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.464 ' CB ' ' HB3' ' A' ' 38' ' ' HIS . 3.5 m-20 -76.85 -41.2 44.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.827 179.625 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.485 ' CG ' ' CE1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -70.35 -51.15 32.07 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.31 0.576 . . . . 0.0 110.103 179.417 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.436 HG23 ' CD2' ' A' ' 46' ' ' HIS . 25.0 mt -57.09 -61.9 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.36 -0.837 . . . . 0.0 111.024 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.511 ' CD2' ' O ' ' A' ' 42' ' ' ASN . 15.3 m-70 -73.6 -24.86 60.11 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.902 -178.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.9 m 75.12 72.57 0.09 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.973 0.415 . . . . 0.0 111.907 178.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.438 ' CG2' ' HA ' ' A' ' 43' ' ' ASP . 30.1 p -89.51 -153.58 0.28 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.059 -0.518 . . . . 0.0 109.902 178.649 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -38.07 -57.2 1.08 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.942 0.401 . . . . 0.0 111.212 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.455 ' CA ' ' CD2' ' A' ' 38' ' ' HIS . . . 55.36 97.45 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.39 0 CA-C-N 115.908 -0.587 . . . . 0.0 113.017 179.476 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.438 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . 1.7 mmtp -70.34 149.59 47.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.637 0.256 . . . . 0.0 110.805 179.692 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.414 ' HB3' ' CE2' ' A' ' 34' ' ' PHE . 10.7 mt-10 -140.45 133.28 29.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.024 0.44 . . . . 0.0 110.835 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.54 ' CE ' ' CG ' ' A' ' 102' ' ' TRP . 0.6 OUTLIER -121.04 119.0 31.23 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.398 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.8 128.91 39.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.382 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.424 ' O ' ' HA ' ' A' ' 123' ' ' ILE . 17.0 mt -93.7 30.3 1.82 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.484 -179.334 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.39 -61.63 1.79 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.78 0.324 . . . . 0.0 110.888 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -118.95 47.5 1.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.783 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.419 ' OG1' ' HA ' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -94.58 162.08 13.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.091 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.27 170.9 12.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.582 179.633 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.413 ' HA ' ' O ' ' A' ' 93' ' ' LEU . 5.0 m -139.23 122.52 18.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.648 179.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.89 155.0 44.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.039 0.447 . . . . 0.0 111.873 -179.458 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.445 ' CG1' ' HD2' ' A' ' 63' ' ' PRO . 42.3 t -89.73 139.35 27.81 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.658 179.711 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.445 ' HD2' ' CG1' ' A' ' 62' ' ' VAL . 18.2 Cg_endo -58.43 80.78 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.7 2.267 . . . . 0.0 112.629 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 45.98 34.22 5.63 Favored Glycine 0 CA--C 1.518 0.262 0 C-N-CA 121.073 -0.584 . . . . 0.0 113.03 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -119.25 131.14 55.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.844 0.354 . . . . 0.0 111.026 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.418 ' HB2' ' HD2' ' A' ' 67' ' ' PRO . 6.1 ptp180 -56.49 164.61 1.95 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.802 179.74 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.418 ' HD2' ' HB2' ' A' ' 66' ' ' ARG . 61.6 Cg_exo -52.25 118.47 4.62 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.323 2.015 . . . . 0.0 112.199 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.54 114.76 2.03 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.538 2.159 . . . . 0.0 112.508 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.77 -178.5 4.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -76.57 -56.25 4.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.064 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 24.1 mm -100.26 -28.96 3.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.128 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.7 t 62.41 -176.75 0.14 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.948 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.66 17.55 10.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.725 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -92.87 145.23 24.55 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -115.82 155.68 16.12 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.555 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 99.67 0.76 Allowed 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.529 2.153 . . . . 0.0 112.347 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.8 t -61.49 110.37 1.44 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.7 -31.42 71.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.0 p -87.45 109.14 19.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.954 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 125.93 43.39 0.28 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.474 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.4 p 58.92 172.91 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.789 0.328 . . . . 0.0 111.022 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -96.46 -178.21 4.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.105 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 104.98 -107.72 2.93 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.456 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 60.59 89.79 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.862 0.363 . . . . 0.0 110.863 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -100.63 31.97 3.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.209 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -127.84 31.46 5.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.787 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -64.32 -27.28 68.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.966 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -129.53 59.12 1.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.031 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -59.68 104.09 0.25 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.609 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.502 ' CG ' ' HG2' ' A' ' 112' ' ' ARG . 82.5 m-85 -90.02 136.31 33.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.697 -179.432 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.525 ' HB3' ' HE1' ' A' ' 103' ' ' HIS . 3.9 mp0 -143.93 129.92 19.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.028 179.477 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.438 ' CE2' HD11 ' A' ' 94' ' ' ILE . 2.8 p90 -129.84 137.81 50.65 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.984 0.421 . . . . 0.0 111.39 -179.668 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.413 ' O ' ' HA ' ' A' ' 60' ' ' VAL . 0.7 OUTLIER -106.02 143.37 34.25 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.203 -179.616 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.512 ' HB ' ' HB2' ' A' ' 102' ' ' TRP . 19.3 mm -112.38 108.65 26.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.626 179.703 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 92.5 t -101.06 130.51 50.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.96 0.409 . . . . 0.0 111.632 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.6 -174.17 3.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.249 179.352 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 p -83.39 -19.22 36.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.255 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.0 t -100.03 23.9 9.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.867 0.365 . . . . 0.0 111.155 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 83.52 -20.46 11.29 Favored Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.634 -0.793 . . . . 0.0 113.372 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 15.0 tp60 -48.64 123.9 7.5 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 117.146 0.473 . . . . 0.0 110.79 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.459 ' HA ' ' O ' ' A' ' 94' ' ' ILE . 1.3 m -126.27 114.82 18.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.876 0.369 . . . . 0.0 111.839 -179.396 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.67 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 35.4 m0 -98.39 105.61 17.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.151 178.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.568 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.8 OUTLIER -92.32 116.55 29.07 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.676 179.678 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.535 ' CZ ' ' HB3' ' A' ' 102' ' ' TRP . 21.7 m-85 -124.36 159.9 29.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.435 0.635 . . . . 0.0 112.212 -179.606 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.438 ' HB2' ' CE3' ' A' ' 22' ' ' TRP . 1.1 tt0 -124.75 108.22 11.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.1 -0.954 . . . . 0.0 109.771 179.074 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -52.99 119.03 4.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.602 -179.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.72 -37.24 75.71 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.522 179.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.61 139.84 46.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.22 179.357 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.423 ' CG ' ' HE2' ' A' ' 90' ' ' PHE . 6.8 m-30 -56.22 -36.06 68.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.198 -179.581 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -74.37 -37.91 63.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.259 0.552 . . . . 0.0 110.693 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.41 -32.02 71.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.516 -179.547 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.502 ' HG2' ' CG ' ' A' ' 90' ' ' PHE . 2.3 ppt_? -56.72 -40.62 76.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.765 0.317 . . . . 0.0 110.835 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.408 ' N ' ' HG3' ' A' ' 112' ' ' ARG . 2.2 m-20 -74.84 -45.6 42.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.561 179.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -54.08 -52.81 59.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.326 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.604 ' CH2' ' O ' ' A' ' 6' ' ' LYS . 57.5 m95 -57.72 -55.28 36.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.655 178.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 73.4 t -53.32 -36.13 25.78 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-O 120.869 0.366 . . . . 0.0 110.041 179.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -77.29 -29.75 53.89 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.688 178.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.412 ' CB ' ' CG2' ' A' ' 5' ' ' ILE . . . -67.85 -41.82 82.33 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.452 179.379 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.512 HG12 ' O ' ' A' ' 115' ' ' TRP . 2.0 mm -66.75 -51.58 54.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.156 179.404 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -64.78 -32.76 74.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.393 179.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 22.9 t -66.84 -41.48 87.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.538 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 65.0 mm-40 -69.53 -35.93 75.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.379 179.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.424 ' HA ' ' O ' ' A' ' 55' ' ' LEU . 16.0 mt -73.32 -33.15 40.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.71 179.488 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.7 tt -68.52 -37.89 80.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.434 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.36 -30.13 57.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 15.2 m -82.15 -30.13 31.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.968 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.79 -31.08 66.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.026 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.957 179.986 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 21.0 mtm180 . . . . . 0 N--CA 1.485 1.31 0 CA-C-O 120.863 0.363 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.13 167.56 10.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.029 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.435 ' CG2' ' HD2' ' A' ' 4' ' ' PRO . 11.9 mt -135.43 136.86 24.94 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.888 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.435 ' HD2' ' CG2' ' A' ' 3' ' ' ILE . 20.9 Cg_endo -60.92 130.34 32.44 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.332 2.022 . . . . 0.0 112.242 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.416 ' HB ' ' HB3' ' A' ' 29' ' ' LEU . 45.9 mm -91.2 -21.79 6.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.698 179.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.616 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 0.0 OUTLIER 179.95 110.6 0.04 OUTLIER 'General case' 0 C--O 1.218 -0.575 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 179.079 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -127.91 110.68 12.79 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-O 120.936 0.398 . . . . 0.0 110.7 179.679 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.02 -175.21 3.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.89 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.428 ' CE1' ' CG1' ' A' ' 41' ' ' ILE . 2.6 m-85 -84.49 145.51 28.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.956 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.449 ' HB2' ' CG2' ' A' ' 27' ' ' VAL . 6.6 mp -137.19 153.63 50.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.824 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.45 ' CD2' ' HB2' ' A' ' 22' ' ' TRP . 1.0 OUTLIER -87.64 137.66 32.14 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.256 179.38 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.462 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.0 OUTLIER -129.65 123.84 32.21 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.834 0.35 . . . . 0.0 111.427 -179.389 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.45 ' HG3' ' CE2' ' A' ' 22' ' ' TRP . 23.4 mtp180 -54.67 148.17 13.17 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.009 179.563 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.5 m -118.85 -38.67 3.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.955 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -93.73 -145.28 17.23 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.613 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -107.22 -178.26 3.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.798 0.332 . . . . 0.0 111.025 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 83.2 p -60.43 -44.89 95.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.29 -33.16 69.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -132.58 87.74 2.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.801 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -71.05 154.26 41.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.171 0.51 . . . . 0.0 111.18 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -172.14 101.1 0.16 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.826 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.509 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 2.8 m95 -98.07 143.63 28.41 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.337 -178.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.9 158.88 28.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.488 179.64 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.86 124.03 20.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.849 0.356 . . . . 0.0 110.815 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -126.58 -174.08 3.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.047 -179.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.433 ' O ' ' HA ' ' A' ' 37' ' ' TYR . 2.0 t80 -137.56 129.39 28.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.221 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.451 ' HB ' ' CH2' ' A' ' 115' ' ' TRP . 1.6 t -137.53 145.78 28.74 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.286 0 CA-C-O 120.995 0.426 . . . . 0.0 111.645 -179.67 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 86.9 m -138.86 110.73 7.2 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.731 177.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.528 ' HB2' ' CZ3' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -89.31 115.78 27.04 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 178.249 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.0 p -100.58 157.44 16.66 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.691 -178.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.3 p -77.48 -1.3 29.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.87 179.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -88.76 26.24 1.57 Allowed 'General case' 0 CA--C 1.521 -0.156 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.219 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.417 ' C ' ' HB2' ' A' ' 55' ' ' LEU . . . 57.09 40.32 91.24 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.398 -0.906 . . . . 0.0 111.206 -179.296 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.43 ' CE1' ' HB2' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -138.28 144.78 40.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.206 0.527 . . . . 0.0 111.7 -179.334 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.628 ' HG ' ' CZ3' ' A' ' 102' ' ' TRP . 2.5 tp -129.25 116.97 19.95 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.703 179.025 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -120.07 136.69 54.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.858 0.361 . . . . 0.0 111.399 -179.256 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.433 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.5 OUTLIER -139.61 136.25 34.16 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.675 179.137 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.478 ' HB3' ' CB ' ' A' ' 43' ' ' ASP . 0.3 OUTLIER -116.49 160.21 37.09 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.925 -179.47 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -48.18 -45.77 24.72 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.725 2.283 . . . . 0.0 112.619 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.2 t -157.11 -170.88 3.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.929 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.428 ' CG1' ' CE1' ' A' ' 9' ' ' PHE . 3.8 mp -64.84 -43.33 96.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.843 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.525 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 1.8 p-10 -51.8 -27.08 11.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.388 0.613 . . . . 0.0 110.053 179.091 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.478 ' CB ' ' HB3' ' A' ' 38' ' ' HIS . 3.8 m-20 -76.75 -39.9 50.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.806 179.571 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -72.14 -51.12 22.82 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.238 0.542 . . . . 0.0 110.091 179.442 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.458 HG22 ' CD2' ' A' ' 46' ' ' HIS . 18.9 mt -56.52 -61.29 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.911 179.607 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.525 ' CD2' ' O ' ' A' ' 42' ' ' ASN . 14.8 m-70 -73.42 -25.0 60.33 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.859 -1.064 . . . . 0.0 111.677 -179.036 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 73.88 71.1 0.11 Allowed 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 178.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.433 ' CG2' ' HA ' ' A' ' 43' ' ' ASP . 30.2 p -84.86 -152.5 0.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 178.57 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -39.21 -56.17 1.54 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.932 0.396 . . . . 0.0 111.185 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.42 ' HA2' ' CD2' ' A' ' 38' ' ' HIS . . . 59.3 98.89 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.909 -0.663 . . . . 0.0 112.804 179.447 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.19 156.77 35.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.695 0.283 . . . . 0.0 110.764 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.43 ' HB2' ' CE1' ' A' ' 34' ' ' PHE . 16.4 pt-20 -158.8 154.62 26.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.755 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.574 ' HE1' ' CE2' ' A' ' 102' ' ' TRP . 7.0 ptp -144.82 151.1 38.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.363 -179.366 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -83.88 120.65 26.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.651 178.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.469 ' O ' ' HA ' ' A' ' 123' ' ' ILE . 2.1 mt -84.99 40.21 0.8 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.646 -179.134 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.68 -61.65 1.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.835 0.35 . . . . 0.0 110.846 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.43 39.43 3.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.803 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.51 161.97 24.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.991 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -133.28 159.28 40.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.573 179.628 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.3 m -121.06 123.73 70.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.842 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.406 ' CB ' ' HB2' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -105.02 138.59 40.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.097 -179.751 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.0 m -115.95 106.94 48.88 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.192 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -60.7 78.55 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.459 2.106 . . . . 0.0 112.116 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 103.95 95.32 2.35 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.481 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -49.78 173.18 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.826 0.346 . . . . 0.0 111.102 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.71 166.33 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.639 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -58.27 148.72 77.47 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.451 2.101 . . . . 0.0 112.028 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.417 ' HG3' ' CE1' ' A' ' 90' ' ' PHE . 39.3 Cg_endo -66.59 94.93 0.33 Allowed 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.466 2.111 . . . . 0.0 112.209 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -127.13 -176.12 3.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.771 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.96 -56.24 21.89 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.314 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.443 HG22 HD11 ' A' ' 71' ' ' ILE . 59.0 mt -148.57 -80.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.096 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.94 87.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.774 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.85 17.54 10.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.003 0.43 . . . . 0.0 111.717 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 57.02 84.61 0.09 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.967 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 60.43 179.71 2.36 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.39 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -62.45 75.89 0.1 Allowed 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.728 2.285 . . . . 0.0 112.266 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.0 m -150.74 85.34 1.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.76 -52.16 47.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.4 m 57.92 80.95 0.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.009 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 123.55 -82.88 0.35 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.433 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 94.7 p -117.12 -173.47 2.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.825 0.345 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -103.7 178.94 4.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.996 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -87.84 122.65 6.34 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.517 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -83.79 -30.87 26.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.77 0.319 . . . . 0.0 110.93 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -90.38 143.93 26.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.104 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -167.53 39.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.729 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -62.45 -37.69 86.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.045 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.406 ' OE1' ' CE2' ' A' ' 109' ' ' PHE . 1.1 mt-10 53.66 56.29 7.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.011 0.434 . . . . 0.0 110.826 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -87.95 104.01 16.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.859 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.519 ' CD1' ' CD1' ' A' ' 109' ' ' PHE . 3.4 m-85 -91.99 108.81 20.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.79 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -138.94 137.1 36.13 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 -179.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 4.9 p90 -129.5 145.49 51.44 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.992 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.434 ' HG ' ' CG ' ' A' ' 103' ' ' HIS . 0.7 OUTLIER -105.27 150.83 24.81 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.186 -179.626 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.438 ' HB ' ' HB2' ' A' ' 102' ' ' TRP . 7.3 mm -124.33 108.75 21.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.572 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 66.6 t -99.01 122.92 51.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.018 0.437 . . . . 0.0 111.492 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 13.4 p -88.54 -176.31 5.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.345 179.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 27.1 t -85.26 -2.0 57.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.303 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.4 t -112.48 21.07 16.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.91 0.386 . . . . 0.0 111.015 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 80.2 -17.7 9.43 Favored Glycine 0 CA--C 1.52 0.373 0 C-N-CA 120.82 -0.705 . . . . 0.0 113.577 179.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -61.54 119.72 9.15 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 117.289 0.544 . . . . 0.0 110.481 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.435 ' HA ' ' O ' ' A' ' 94' ' ' ILE . 4.7 m -114.54 115.43 27.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.671 -179.411 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.628 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 38.8 m0 -93.67 105.5 17.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.38 179.102 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.509 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.7 OUTLIER -95.78 116.12 28.43 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.366 -0.534 . . . . 0.0 110.174 179.091 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.579 ' CZ ' ' HB3' ' A' ' 102' ' ' TRP . 18.4 m-85 -122.18 164.7 17.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.33 0.586 . . . . 0.0 111.783 -179.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.429 ' HB3' ' CB ' ' A' ' 11' ' ' LEU . 45.1 tt0 -129.56 103.18 6.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.601 178.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -49.64 126.35 13.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.797 -179.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.69 -28.3 68.51 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.498 179.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.99 143.45 51.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.437 179.567 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.519 ' CD1' ' CD1' ' A' ' 90' ' ' PHE . 23.0 m-85 -57.76 -45.65 85.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.148 -179.567 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -61.88 -40.68 96.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.966 0.412 . . . . 0.0 110.533 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.58 -34.37 78.09 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.033 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.409 ' HG3' ' HB3' ' A' ' 90' ' ' PHE . 0.3 OUTLIER -56.78 -49.45 75.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.877 -179.817 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -65.35 -43.0 92.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.375 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.46 -52.56 64.23 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.616 ' CH2' ' O ' ' A' ' 6' ' ' LYS . 50.6 m95 -56.56 -55.83 28.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.664 178.64 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 96.5 t -53.2 -36.58 25.83 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-O 120.914 0.387 . . . . 0.0 110.228 179.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -75.86 -30.14 58.8 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.773 178.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -69.87 -36.62 75.63 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.335 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.535 HG12 ' O ' ' A' ' 115' ' ' TRP . 2.0 mm -68.54 -52.35 37.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.234 179.403 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -65.28 -32.88 74.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.975 0.417 . . . . 0.0 110.221 179.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 29.8 t -65.12 -40.48 94.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.366 179.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -68.98 -32.71 72.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.397 179.452 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.469 ' HA ' ' O ' ' A' ' 55' ' ' LEU . 10.6 mt -72.8 -35.82 50.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.966 179.723 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.2 mp -68.64 -38.48 80.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.533 179.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.36 -27.0 56.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.052 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 39.4 m -84.73 -33.24 23.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.03 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.92 -36.58 74.97 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.827 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.352 -0.832 . . . . 0.0 110.949 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.448 0 CA-C-O 120.794 0.33 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.09 136.73 35.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.098 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.406 ' CG2' ' HD2' ' A' ' 4' ' ' PRO . 12.8 mm -122.92 136.13 26.53 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.546 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.406 ' HD2' ' CG2' ' A' ' 3' ' ' ILE . 26.6 Cg_endo -62.85 127.55 20.8 Favored 'Trans proline' 0 N--CA 1.464 -0.214 0 C-N-CA 122.176 1.917 . . . . 0.0 112.337 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.505 ' N ' ' O ' ' A' ' 29' ' ' LEU . 28.6 mm -91.56 -19.79 6.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.553 -0.748 . . . . 0.0 111.161 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.629 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 4.4 tptt 178.92 110.53 0.03 OUTLIER 'General case' 0 C--O 1.215 -0.74 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.154 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.409 ' HA ' ' HA ' ' A' ' 28' ' ' THR . 12.4 pt20 -130.9 108.99 10.22 Favored 'General case' 0 C--N 1.311 -1.095 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.459 179.39 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 98.1 p -162.82 -174.99 4.17 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.365 -179.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.449 ' CE1' ' CG1' ' A' ' 41' ' ' ILE . 1.0 OUTLIER -80.03 145.0 32.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.106 -179.778 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.524 ' HB2' HG22 ' A' ' 27' ' ' VAL . 8.9 mp -140.24 151.38 45.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.512 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.433 ' CD2' ' HB2' ' A' ' 22' ' ' TRP . 1.1 tp -88.19 134.96 33.65 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 179.114 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.414 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.1 OUTLIER -121.3 111.1 16.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.946 0.403 . . . . 0.0 111.266 -179.399 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -59.21 148.22 32.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.973 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 68.8 m -124.45 68.93 1.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.19 -168.53 33.64 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.761 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 61.69 90.47 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.866 0.365 . . . . 0.0 110.976 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.19 -52.45 27.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.027 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.3 mt -57.63 -40.52 79.37 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.83 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.8 m-20 -126.1 76.15 1.57 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.67 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -48.87 173.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.223 -179.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -168.81 99.49 0.39 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.868 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.587 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 2.6 m95 -102.8 139.28 38.59 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.217 -178.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.0 mmtt -115.0 157.75 23.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.531 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.5 mmtp -63.02 122.99 17.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.853 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -124.96 -174.04 2.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.795 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.495 ' CE1' ' CG ' ' A' ' 44' ' ' TYR . 46.6 t80 -144.48 115.04 7.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.496 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.524 HG22 ' HB2' ' A' ' 10' ' ' LEU . 1.3 t -119.63 148.54 22.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.846 0.355 . . . . 0.0 111.589 -179.605 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.409 ' HA ' ' HA ' ' A' ' 7' ' ' GLN . 87.6 m -138.74 111.91 7.99 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.428 178.053 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.565 ' HB2' ' CZ3' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -89.26 117.1 27.98 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 177.774 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.5 t -105.95 164.91 11.59 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.991 0.424 . . . . 0.0 111.458 -178.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.5 t -78.34 1.01 23.27 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.808 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -93.51 26.05 3.19 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 120.744 0.307 . . . . 0.0 111.319 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.405 ' C ' ' HB2' ' A' ' 55' ' ' LEU . . . 55.46 42.29 83.19 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.619 -0.8 . . . . 0.0 111.803 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.421 ' CD1' ' HB2' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -138.82 128.18 24.34 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.159 0.504 . . . . 0.0 111.482 -179.753 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.656 ' HG ' ' CZ3' ' A' ' 102' ' ' TRP . 1.0 OUTLIER -107.92 117.07 33.16 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.599 179.282 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.29 150.52 32.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.915 0.388 . . . . 0.0 111.698 -179.165 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -151.5 129.34 11.66 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.905 179.395 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.468 ' HB3' ' HB3' ' A' ' 43' ' ' ASP . 0.4 OUTLIER -119.69 161.59 37.03 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.574 -179.635 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -48.07 -43.62 30.18 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.658 2.239 . . . . 0.0 112.882 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -160.47 -167.31 1.86 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.936 0.398 . . . . 0.0 111.173 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.449 ' CG1' ' CE1' ' A' ' 9' ' ' PHE . 3.6 mp -66.16 -47.27 85.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.953 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.511 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 8.6 m-80 -51.9 -25.64 8.51 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.26 0.552 . . . . 0.0 110.286 179.22 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.476 ' HB3' ' O ' ' A' ' 48' ' ' THR . 5.5 m-20 -76.79 -42.31 41.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.57 179.644 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.495 ' CG ' ' CE1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -69.13 -51.01 42.68 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.212 0.53 . . . . 0.0 110.14 179.567 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.445 HG21 ' CD2' ' A' ' 46' ' ' HIS . 25.4 mt -58.23 -62.19 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.266 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.511 ' CD2' ' O ' ' A' ' 42' ' ' ASN . 15.3 m-70 -73.52 -24.47 60.15 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.892 -1.049 . . . . 0.0 112.159 -178.535 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.0 t 77.29 74.17 0.07 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.976 0.417 . . . . 0.0 111.228 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.476 ' O ' ' HB3' ' A' ' 43' ' ' ASP . 68.5 p -144.76 117.97 8.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.156 179.288 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 62.8 m80 63.96 88.69 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 -178.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.459 ' HA3' ' CD2' ' A' ' 38' ' ' HIS . . . -141.85 88.97 0.18 Allowed Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.93 -179.515 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.42 ' HB3' ' CZ2' ' A' ' 102' ' ' TRP . 0.0 OUTLIER -68.4 143.13 55.2 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.811 0.338 . . . . 0.0 110.994 -179.559 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.421 ' HB2' ' CD1' ' A' ' 34' ' ' PHE . 8.7 pt-20 -138.05 150.59 47.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.676 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.542 ' CE ' ' CE2' ' A' ' 102' ' ' TRP . 10.0 ptp -135.76 151.39 50.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.206 -179.697 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -76.91 129.46 36.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.989 179.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.405 ' HB2' ' C ' ' A' ' 33' ' ' GLY . 9.1 mt -91.39 25.59 2.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.566 -179.3 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 tt -82.95 -48.39 10.73 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.962 0.411 . . . . 0.0 110.651 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 -123.77 55.59 1.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.428 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.405 HG22 ' HA ' ' A' ' 96' ' ' SER . 0.3 OUTLIER -102.31 161.97 13.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.918 -179.681 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -134.33 168.61 18.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.637 179.72 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 20.8 t -123.21 119.57 57.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.403 ' CB ' ' HB2' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -109.51 148.38 31.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.929 -179.865 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 19.3 t -138.8 135.65 17.93 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.112 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.69 62.64 2.3 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.492 2.128 . . . . 0.0 112.069 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 128.84 102.57 1.07 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.369 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.2 mmtm -52.07 173.25 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.81 0.338 . . . . 0.0 111.064 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 65.59 154.79 0.13 Allowed Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.75 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -53.75 126.94 23.53 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.593 2.195 . . . . 0.0 112.177 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -52.16 111.95 0.74 Allowed 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.373 2.049 . . . . 0.0 112.321 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -65.1 126.74 29.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -86.35 -30.13 22.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.108 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 26.7 mt -81.78 -33.47 12.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.266 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -161.64 108.6 1.39 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.971 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.76 17.63 10.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.79 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -130.2 160.91 32.41 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.881 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.66 -129.62 0.02 OUTLIER Glycine 0 CA--C 1.52 0.344 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.435 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -67.62 -176.65 0.97 Allowed 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.439 2.093 . . . . 0.0 112.226 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.3 t 60.4 89.99 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.73 -29.65 66.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.103 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.38 54.94 3.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.937 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -120.47 124.03 5.77 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.526 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -133.42 136.28 45.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.795 0.331 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -136.03 87.7 2.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.142 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 117.04 -109.89 1.98 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.475 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -117.24 -68.23 0.93 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.883 0.373 . . . . 0.0 110.929 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -176.37 103.46 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.06 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -98.83 31.81 2.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.871 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -65.62 -30.78 71.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -148.56 61.26 1.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -112.94 103.91 11.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.85 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.442 ' CD2' ' HG2' ' A' ' 112' ' ' ARG . 16.5 m-85 -89.79 118.61 29.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.02 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -140.4 136.13 32.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 -179.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.419 ' CD2' HD12 ' A' ' 94' ' ' ILE . 4.1 p90 -132.96 146.74 52.05 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.741 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.403 ' HB2' ' CB ' ' A' ' 61' ' ' LYS . 0.8 OUTLIER -107.52 148.88 28.65 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.645 -179.246 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.419 HD12 ' CD2' ' A' ' 92' ' ' PHE . 10.0 mm -123.07 110.27 25.93 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.785 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 56.6 t -99.63 134.51 38.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.006 0.431 . . . . 0.0 111.613 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.405 ' HA ' HG22 ' A' ' 58' ' ' THR . 48.1 t -95.72 -174.09 3.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.528 179.421 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.61 -18.52 44.45 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.315 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.0 t -99.37 24.57 7.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.895 0.378 . . . . 0.0 111.215 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 79.5 -11.35 32.43 Favored Glycine 0 CA--C 1.521 0.438 0 C-N-CA 120.834 -0.698 . . . . 0.0 113.361 179.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -57.22 133.92 55.48 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 117.085 0.442 . . . . 0.0 110.675 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 2.7 m -132.84 114.55 14.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.983 0.421 . . . . 0.0 111.712 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.656 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 41.4 m0 -98.48 105.7 17.88 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.875 179.081 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.587 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.8 OUTLIER -91.02 115.95 28.41 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.293 -0.563 . . . . 0.0 110.004 178.838 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.527 ' CZ ' ' HB3' ' A' ' 102' ' ' TRP . 26.1 m-85 -119.33 161.56 20.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.258 0.551 . . . . 0.0 111.96 -179.338 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.474 ' HB2' ' CE3' ' A' ' 22' ' ' TRP . 0.3 OUTLIER -126.57 102.49 7.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.188 -0.914 . . . . 0.0 109.725 178.794 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -56.73 127.49 31.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.593 -179.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.76 -32.86 74.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.587 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.1 m -114.46 147.31 39.51 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.509 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 10.3 m-30 -66.0 -34.81 78.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.195 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.83 -33.45 64.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.985 0.422 . . . . 0.0 110.898 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.19 -38.92 82.5 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.54 -179.512 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.442 ' HG2' ' CD2' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -56.77 -36.83 70.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.697 0.284 . . . . 0.0 110.834 -179.549 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -74.39 -47.01 36.62 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.496 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 118' ' ' ALA . . . -55.04 -48.68 73.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.228 179.459 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.629 ' CH2' ' O ' ' A' ' 6' ' ' LYS . 56.8 m95 -59.06 -54.97 41.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.835 179.078 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 75.3 t -55.64 -34.5 35.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.916 0.388 . . . . 0.0 110.199 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.412 ' HA ' ' CG ' ' A' ' 120' ' ' GLU . 0.1 OUTLIER -80.75 -27.03 36.94 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.486 179.073 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 114' ' ' ALA . . . -72.14 -43.95 63.88 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 121.1 0.476 . . . . 0.0 110.245 179.347 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 2.5 mp -66.66 -49.62 73.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.121 179.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.412 ' CG ' ' HA ' ' A' ' 117' ' ' GLN . 0.0 OUTLIER -64.81 -32.54 74.28 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 110.113 -0.328 . . . . 0.0 110.113 179.213 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 117' ' ' GLN . 11.5 t -66.44 -45.96 78.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.65 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.411 ' NE2' HG13 ' A' ' 5' ' ' ILE . 0.4 OUTLIER -63.51 -31.77 73.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.496 179.713 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.405 ' HA ' ' O ' ' A' ' 55' ' ' LEU . 20.0 mt -70.51 -38.96 75.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 179.583 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.64 -35.04 76.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.817 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.26 -32.39 58.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.029 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -77.91 -31.09 50.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 4.1 mt -65.69 -46.57 78.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.853 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.895 0.379 . . . . 0.0 111.224 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.44 172.82 11.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.063 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.6 mm -113.9 132.02 22.85 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.887 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -58.72 125.89 19.62 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.201 1.934 . . . . 0.0 112.246 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.58 ' N ' ' O ' ' A' ' 29' ' ' LEU . 29.0 mm -94.79 -18.73 6.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.506 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.593 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 3.4 tptt 176.77 110.44 0.02 OUTLIER 'General case' 0 C--O 1.22 -0.451 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 179.016 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -131.89 117.46 18.52 Favored 'General case' 0 C--N 1.314 -0.938 0 C-N-CA 120.952 -0.299 . . . . 0.0 110.467 179.512 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.63 -175.06 0.74 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.12 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.465 ' CD1' ' N ' ' A' ' 9' ' ' PHE . 0.8 OUTLIER -79.42 132.41 36.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.871 -179.887 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.423 ' CD2' ' HB3' ' A' ' 104' ' ' PHE . 4.5 mp -126.74 148.72 49.86 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.688 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.428 ' CB ' ' HB3' ' A' ' 105' ' ' GLU . 1.3 tp -87.47 129.89 34.9 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.264 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.404 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.2 OUTLIER -112.36 112.51 24.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.876 0.369 . . . . 0.0 111.183 -179.688 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -55.88 147.94 18.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.13 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.0 p -126.3 -44.54 1.72 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -89.33 -157.12 32.62 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.5 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -109.46 -176.09 2.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.777 0.323 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.4 m -59.56 -43.28 93.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.1 tp -64.06 -32.46 74.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -145.54 74.04 1.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.806 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -73.02 163.53 28.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.158 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -173.47 101.63 0.12 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.94 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.602 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 2.7 m95 -100.35 148.64 24.47 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.273 -179.275 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.8 154.11 33.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.728 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.14 116.14 5.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.687 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.82 -174.25 2.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.081 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.42 ' CE1' ' HB2' ' A' ' 44' ' ' TYR . 54.7 t80 -143.47 115.18 8.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.349 -179.615 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.429 ' HB ' ' CH2' ' A' ' 115' ' ' TRP . 2.3 t -122.98 152.78 27.79 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.324 0 CA-C-O 121.174 0.512 . . . . 0.0 111.919 -179.314 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 89.1 m -138.57 124.7 20.2 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.24 177.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.58 ' O ' ' N ' ' A' ' 5' ' ' ILE . 0.2 OUTLIER -105.47 114.23 28.28 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 178.319 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.1 t -106.11 159.46 16.06 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.055 0.455 . . . . 0.0 111.177 -178.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 t -74.73 2.63 9.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.21 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -90.02 26.13 1.94 Allowed 'General case' 0 CA--C 1.523 -0.086 0 CA-C-O 120.748 0.308 . . . . 0.0 111.339 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 52.76 40.37 56.46 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.556 -0.83 . . . . 0.0 111.814 -179.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.428 ' CE1' ' HB2' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -137.94 132.4 32.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.001 0.429 . . . . 0.0 111.589 -179.588 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.615 ' HG ' ' CZ3' ' A' ' 102' ' ' TRP . 1.4 tp -116.04 117.07 29.09 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.801 179.151 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.439 ' HA ' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -119.05 150.73 39.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.828 0.347 . . . . 0.0 111.186 -179.478 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -154.1 137.04 15.42 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.293 0.568 . . . . 0.0 111.31 179.598 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.451 ' HB3' ' HB3' ' A' ' 43' ' ' ASP . 0.5 OUTLIER -120.07 161.93 36.06 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.429 -179.861 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_exo -48.26 -34.67 25.22 Favored 'Trans proline' 0 CA--C 1.529 0.273 0 C-N-CA 122.659 2.24 . . . . 0.0 112.788 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.61 -167.72 0.46 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.885 0.374 . . . . 0.0 111.307 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.461 ' CG1' ' CE1' ' A' ' 9' ' ' PHE . 4.0 mp -65.3 -47.07 88.62 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.491 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 18.8 p-10 -51.59 -27.15 10.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.376 0.607 . . . . 0.0 109.976 179.19 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.504 ' HB3' ' O ' ' A' ' 48' ' ' THR . 5.4 m-20 -76.81 -42.77 39.22 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.734 179.535 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.42 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 0.4 OUTLIER -67.89 -51.08 52.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.237 0.541 . . . . 0.0 110.025 179.642 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.421 HG22 ' CD2' ' A' ' 46' ' ' HIS . 30.5 mt -59.13 -62.76 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.33 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.491 ' CD2' ' O ' ' A' ' 42' ' ' ASN . 16.0 m-70 -73.35 -24.39 60.34 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.904 -1.044 . . . . 0.0 112.369 -178.402 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.5 m 77.96 74.62 0.06 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.029 0.443 . . . . 0.0 111.383 179.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.504 ' O ' ' HB3' ' A' ' 43' ' ' ASP . 72.0 p -144.11 116.78 8.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.125 179.224 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 64.17 88.13 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.778 -0.452 . . . . 0.0 109.778 -178.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.441 ' HA3' ' CD2' ' A' ' 38' ' ' HIS . . . -137.28 86.82 0.23 Allowed Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.759 -179.624 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.454 ' HB3' ' CZ2' ' A' ' 102' ' ' TRP . 0.0 OUTLIER -68.38 153.62 43.4 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.85 0.357 . . . . 0.0 111.126 -179.429 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.428 ' HB2' ' CE1' ' A' ' 34' ' ' PHE . 2.4 pt-20 -153.37 133.33 13.24 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.375 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.541 ' HE3' ' CE2' ' A' ' 102' ' ' TRP . 12.2 ptp -119.99 150.14 41.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.368 -179.608 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.6 p-10 -78.34 124.71 28.41 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 178.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.433 ' O ' ' HA ' ' A' ' 123' ' ' ILE . 0.5 OUTLIER -86.81 32.26 0.67 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -179.12 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.25 -48.06 10.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.92 0.39 . . . . 0.0 110.487 179.532 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -129.25 58.19 1.62 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.327 179.673 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.15 161.94 13.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.092 -179.606 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.02 163.98 23.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.388 179.562 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.415 ' HA ' ' O ' ' A' ' 93' ' ' LEU . 14.6 m -139.05 130.88 36.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.946 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.46 163.87 39.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.973 0.416 . . . . 0.0 111.487 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.7 m -106.89 156.87 36.53 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.025 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -67.4 65.97 0.73 Allowed 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.567 2.178 . . . . 0.0 112.401 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 56.44 56.82 22.49 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.615 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.5 155.9 48.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.84 0.352 . . . . 0.0 110.963 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.3 ptp180 -73.87 155.42 88.74 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.815 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_endo -57.9 126.49 21.84 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.538 2.158 . . . . 0.0 112.132 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -73.35 127.7 12.13 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.432 2.088 . . . . 0.0 112.311 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.07 113.71 26.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.34 -32.41 22.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.103 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.0 mt -88.39 -63.38 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.149 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.2 p -165.52 173.7 10.68 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.8 17.61 10.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.606 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 2.4 t80 62.61 32.46 16.36 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.3 86.65 0.6 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.536 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.92 114.27 3.83 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.529 2.153 . . . . 0.0 112.305 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.0 t -153.18 38.6 0.5 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.963 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.21 -33.21 29.44 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.095 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 59.84 103.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.958 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -139.3 -152.21 5.85 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.462 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 27.8 t -129.21 75.29 1.64 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.768 0.318 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -176.11 60.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.056 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 60.69 -96.38 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.43 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -167.56 -74.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.823 0.344 . . . . 0.0 110.893 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 177.63 119.47 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.03 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -165.36 31.89 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.111 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -68.45 -51.09 47.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.96 0.409 . . . . 0.0 110.668 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 50.4 52.82 14.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.462 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -103.19 103.86 13.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.537 179.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.435 ' CD2' ' HD3' ' A' ' 112' ' ' ARG . 2.8 m-85 -103.9 103.69 13.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.024 -179.388 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -151.33 136.43 17.46 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.531 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.43 ' CE1' HD12 ' A' ' 94' ' ' ILE . 9.5 p90 -131.85 148.17 52.53 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.936 0.398 . . . . 0.0 111.295 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.415 ' O ' ' HA ' ' A' ' 60' ' ' VAL . 1.3 mt -111.04 137.92 48.09 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.695 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.43 HD12 ' CE1' ' A' ' 92' ' ' PHE . 12.7 mm -113.76 108.93 26.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.116 -179.669 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 84.5 t -99.84 123.73 52.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.876 0.369 . . . . 0.0 111.384 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.6 t -91.84 171.61 9.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.719 179.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 11.0 t -68.85 -13.64 62.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.368 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.9 p -101.63 24.12 10.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.04 0.448 . . . . 0.0 111.191 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 69.45 6.15 53.09 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.924 -0.655 . . . . 0.0 113.103 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.3 115.47 16.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.995 0.397 . . . . 0.0 110.252 179.577 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 2.7 m -109.83 114.77 28.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.053 0.454 . . . . 0.0 111.637 -179.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.615 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 32.3 m0 -100.28 105.58 17.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.444 179.036 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.602 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.8 OUTLIER -91.78 116.43 28.89 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.173 179.105 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.518 ' CZ ' ' HB3' ' A' ' 102' ' ' TRP . 22.9 m-85 -121.28 162.71 19.77 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.533 0.682 . . . . 0.0 112.384 -179.168 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.465 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 1.0 OUTLIER -131.27 100.34 5.15 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 114.828 -1.078 . . . . 0.0 109.607 179.098 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.4 ' CB ' ' CA ' ' A' ' 112' ' ' ARG . . . -51.57 123.1 9.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.685 -179.371 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.64 -31.89 69.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.666 179.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -114.57 140.62 48.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.48 179.545 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.425 ' HA ' ' CD2' ' A' ' 90' ' ' PHE . 4.1 m-85 -57.72 -39.73 77.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.19 -179.748 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -72.73 -32.77 65.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.773 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -66.71 -36.84 83.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.091 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.435 ' HD3' ' CD2' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -56.46 -49.45 74.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.867 -179.713 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -64.72 -43.84 92.14 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.4 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -55.9 -51.47 67.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.136 179.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.593 ' CH2' ' O ' ' A' ' 6' ' ' LYS . 54.4 m95 -56.6 -55.74 30.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.665 178.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 73.2 t -53.25 -37.17 27.58 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-O 120.891 0.377 . . . . 0.0 110.29 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.28 -29.88 57.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.986 178.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -69.11 -39.4 78.96 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.259 179.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.525 HG12 ' O ' ' A' ' 115' ' ' TRP . 1.4 mm -67.29 -52.02 46.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.118 179.435 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.23 -32.9 74.81 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.312 179.284 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 29.0 t -65.52 -40.86 93.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.681 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -69.68 -32.92 71.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.46 179.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.433 ' HA ' ' O ' ' A' ' 55' ' ' LEU . 19.0 mt -73.05 -38.43 55.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.88 179.627 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 3.3 tt -66.58 -37.24 84.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.532 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.42 -28.12 56.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.984 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.6 -34.18 25.2 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.171 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.58 -30.95 67.58 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.008 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.284 -0.865 . . . . 0.0 110.953 179.986 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.845 0.355 . . . . 0.0 111.159 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.87 168.25 20.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.046 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 10.6 mm -128.25 130.08 23.59 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.993 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -60.29 126.83 21.11 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.438 2.092 . . . . 0.0 112.165 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.444 HD13 ' HB2' ' A' ' 31' ' ' SER . 4.3 mp -92.81 -19.74 6.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.142 179.687 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.615 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 0.3 OUTLIER -177.2 110.35 0.08 Allowed 'General case' 0 C--O 1.216 -0.693 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.03 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.419 ' HA ' ' HA ' ' A' ' 28' ' ' THR . 20.0 pt20 -130.74 112.16 12.82 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-O 120.855 0.36 . . . . 0.0 110.554 179.237 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -164.54 -175.18 3.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.294 -179.573 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.443 ' CE1' ' CG1' ' A' ' 41' ' ' ILE . 3.0 m-85 -86.83 128.69 35.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.201 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.445 ' HB2' ' CG2' ' A' ' 27' ' ' VAL . 7.1 mp -120.49 155.25 33.98 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.169 179.485 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.465 ' CB ' ' HB3' ' A' ' 105' ' ' GLU . 1.3 tp -90.36 136.65 32.92 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.082 179.425 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.421 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.1 OUTLIER -123.08 114.35 20.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.207 -179.404 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -61.4 148.08 42.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.842 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.8 t -98.26 -65.45 0.96 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.001 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -169.02 -154.71 9.2 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.494 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.3 m120 61.49 113.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.834 0.349 . . . . 0.0 110.931 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.1 t -81.11 -34.64 32.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.54 -32.26 73.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.807 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -149.76 108.7 3.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.792 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.39 176.27 0.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.05 0.452 . . . . 0.0 111.036 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -168.7 98.91 0.4 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.863 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.517 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 2.1 m95 -102.37 143.0 32.68 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.246 -178.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.2 mtmt -117.04 161.12 19.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.438 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.13 117.43 6.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.846 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.4 tptt -118.7 178.24 4.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.826 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.51 ' CE1' ' CG ' ' A' ' 44' ' ' TYR . 52.0 t80 -135.79 127.81 29.65 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.325 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.445 ' CG2' ' HB2' ' A' ' 10' ' ' LEU . 1.4 t -136.82 144.52 32.15 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.294 0 CA-C-O 120.9 0.381 . . . . 0.0 111.83 -179.465 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.419 ' HA ' ' HA ' ' A' ' 7' ' ' GLN . 96.1 m -138.78 112.72 8.51 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.931 177.736 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.513 ' HB2' ' CZ3' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -89.31 114.45 25.84 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 178.008 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 42.8 t -102.76 162.28 13.05 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 123.516 0.51 . . . . 0.0 111.251 -178.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.444 ' HB2' HD13 ' A' ' 5' ' ' ILE . 4.7 t -78.5 3.99 14.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.379 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -91.75 26.08 2.5 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.703 0.287 . . . . 0.0 111.317 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 53.04 40.63 58.87 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.584 -0.817 . . . . 0.0 111.701 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.415 ' CE1' ' HB2' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -139.85 123.45 17.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.969 0.414 . . . . 0.0 111.231 -179.384 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.626 ' HG ' ' CZ3' ' A' ' 102' ' ' TRP . 3.1 tp -99.01 117.11 32.8 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 178.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.37 145.76 39.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.965 0.412 . . . . 0.0 111.6 -179.056 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.448 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -155.07 132.64 11.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.422 179.423 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.48 ' CD2' ' HA2' ' A' ' 50' ' ' GLY . 0.2 OUTLIER -120.29 160.74 42.3 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.972 -179.365 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -52.43 -27.73 32.86 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.733 2.288 . . . . 0.0 112.399 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.47 -174.78 1.24 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.815 0.341 . . . . 0.0 110.971 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.443 ' CG1' ' CE1' ' A' ' 9' ' ' PHE . 3.6 mp -63.83 -46.58 93.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.498 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 5.1 m-20 -51.77 -28.24 14.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.258 0.551 . . . . 0.0 110.271 179.309 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.417 ' CB ' ' HB3' ' A' ' 38' ' ' HIS . 1.5 m-20 -76.82 -40.13 48.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.762 179.656 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.51 ' CG ' ' CE1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -70.34 -51.22 31.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.185 0.517 . . . . 0.0 110.171 179.483 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.434 HG23 ' CD2' ' A' ' 46' ' ' HIS . 24.4 mt -58.53 -62.12 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.107 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.498 ' CD2' ' O ' ' A' ' 42' ' ' ASN . 14.8 m-70 -73.5 -24.66 60.2 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.845 -1.071 . . . . 0.0 112.185 -178.548 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.46 ' OG ' ' O ' ' A' ' 47' ' ' SER . 4.5 p 78.24 74.96 0.06 Allowed 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 121.213 0.53 . . . . 0.0 111.397 179.528 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 41.9 p -118.43 117.33 28.74 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.909 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 5.3 m170 72.69 -59.15 0.57 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.755 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.48 ' HA2' ' CD2' ' A' ' 38' ' ' HIS . . . 47.69 91.09 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.238 0 CA-C-N 115.638 -0.71 . . . . 0.0 113.056 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.444 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -83.57 132.8 34.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.629 0.252 . . . . 0.0 110.715 179.79 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.415 ' HB2' ' CE1' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -132.58 133.23 43.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.09 0.471 . . . . 0.0 111.063 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.568 ' CE ' ' CG ' ' A' ' 102' ' ' TRP . 0.1 OUTLIER -115.28 118.98 34.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.32 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -56.55 130.8 46.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.838 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.466 ' O ' ' HA ' ' A' ' 123' ' ' ILE . 23.5 mt -98.32 33.39 2.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.245 -179.703 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.5 tp -83.14 -51.51 7.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.802 0.334 . . . . 0.0 110.822 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 31.9 mtm-85 -131.78 47.22 2.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.593 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -89.48 161.94 15.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.204 -179.641 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.7 172.11 11.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.534 179.587 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.3 t -126.83 122.97 61.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.016 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.37 147.36 35.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.05 -179.736 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.3 t -128.92 122.62 21.48 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.976 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -72.98 62.61 4.01 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.418 2.079 . . . . 0.0 112.452 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 110.7 112.26 3.36 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.604 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.6 mmtt -63.09 171.72 2.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.813 0.34 . . . . 0.0 110.79 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 40.9 mtt85 59.92 161.28 0.1 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -52.46 118.68 4.89 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.466 2.111 . . . . 0.0 112.323 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -59.95 151.4 72.05 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.412 2.075 . . . . 0.0 112.357 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -79.06 -177.05 5.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.902 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -87.06 -50.22 6.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 28.2 mm -87.67 -48.65 15.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.199 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.4 m -177.93 173.36 1.54 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.871 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.6 17.48 10.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.721 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -164.78 90.63 0.54 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.826 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -153.37 86.04 0.14 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.451 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -52.08 153.06 13.17 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.63 2.22 . . . . 0.0 112.307 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 27.4 p -160.21 126.71 4.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.819 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.12 -32.6 69.21 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.041 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.44 86.49 1.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -93.84 151.78 20.44 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.553 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.2 p -121.98 148.59 44.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.83 0.348 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -107.36 157.13 18.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.177 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 95.2 27.55 10.75 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.593 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -125.84 -43.56 1.84 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.843 0.354 . . . . 0.0 110.933 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -135.19 108.92 8.01 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.199 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -129.66 55.72 1.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.741 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -59.44 -54.38 47.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.017 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.438 ' HB3' ' CZ ' ' A' ' 109' ' ' PHE . 4.6 mt-10 53.39 26.58 5.5 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.147 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -65.95 110.74 3.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.815 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.492 ' CE2' ' CD1' ' A' ' 109' ' ' PHE . 7.5 m-85 -85.75 145.96 27.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.179 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -139.85 132.86 29.46 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.762 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -123.34 159.8 28.08 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.744 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -120.4 149.18 42.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.02 0.438 . . . . 0.0 111.83 -179.224 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.448 ' HB ' ' HB2' ' A' ' 102' ' ' TRP . 14.1 mm -120.31 108.63 23.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.217 179.57 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 59.8 t -103.59 135.63 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.981 0.42 . . . . 0.0 111.92 -179.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 48.0 t -99.13 -173.98 2.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.258 179.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 28.7 p -88.0 -0.01 56.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.506 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.0 t -114.33 22.61 13.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.991 0.424 . . . . 0.0 110.896 179.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 83.59 -21.15 9.45 Favored Glycine 0 CA--C 1.519 0.317 0 C-N-CA 120.803 -0.713 . . . . 0.0 113.309 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.36 129.07 30.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 117.083 0.441 . . . . 0.0 110.864 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.421 ' HA ' ' O ' ' A' ' 94' ' ' ILE . 2.0 m -131.88 114.84 15.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.885 0.374 . . . . 0.0 111.63 -179.646 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.626 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 35.4 m0 -95.3 105.56 17.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.223 179.025 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.517 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.7 OUTLIER -94.74 116.1 28.32 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.27 -0.572 . . . . 0.0 110.427 179.237 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.531 ' CZ ' ' HB3' ' A' ' 102' ' ' TRP . 20.9 m-85 -121.76 166.01 14.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.212 0.529 . . . . 0.0 111.37 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.465 ' HB3' ' CB ' ' A' ' 11' ' ' LEU . 36.6 tt0 -126.76 107.11 9.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.744 178.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -52.5 121.56 7.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.901 -179.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.27 -30.61 71.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.416 179.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -118.48 147.8 43.25 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.349 179.524 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.492 ' CD1' ' CE2' ' A' ' 90' ' ' PHE . 17.2 m-30 -65.93 -38.35 88.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.284 -179.745 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.71 -37.4 65.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.08 0.467 . . . . 0.0 110.619 179.599 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.51 -35.69 80.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.483 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.62 -40.99 76.32 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.789 0.328 . . . . 0.0 110.937 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.522 ' O ' HG12 ' A' ' 116' ' ' VAL . 26.2 t0 -74.68 -35.57 62.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.616 179.653 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.45 -46.75 81.77 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 179.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.615 ' CH2' ' O ' ' A' ' 6' ' ' LYS . 60.4 m95 -60.64 -53.0 62.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.73 178.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.522 HG12 ' O ' ' A' ' 113' ' ' ASP . 2.4 p -53.82 -37.63 33.41 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-O 121.053 0.454 . . . . 0.0 110.223 179.409 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.485 ' HA ' ' HG2' ' A' ' 120' ' ' GLU . 4.3 mm-40 -77.09 -32.07 56.42 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.269 179.14 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.425 ' CB ' ' CG2' ' A' ' 5' ' ' ILE . . . -65.97 -47.3 75.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.819 179.681 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 2.7 mp -64.38 -48.49 85.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.608 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.485 ' HG2' ' HA ' ' A' ' 117' ' ' GLN . 11.1 pt-20 -68.08 -32.78 73.34 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.317 179.387 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 117' ' ' GLN . 7.6 m -66.0 -38.7 89.14 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.998 0.428 . . . . 0.0 110.21 179.386 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.05 -34.57 75.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.321 179.514 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.466 ' HA ' ' O ' ' A' ' 55' ' ' LEU . 20.0 mt -69.38 -36.97 74.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.003 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 2.1 tp -68.6 -41.36 79.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.728 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -74.23 -28.07 61.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.123 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 89.2 p -79.86 -29.9 40.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.93 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.21 -38.7 68.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.795 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.731 0.301 . . . . 0.0 111.267 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.69 177.16 4.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.026 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.403 ' CG2' ' HD2' ' A' ' 4' ' ' PRO . 15.8 mt -125.23 136.22 27.9 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.403 ' HD2' ' CG2' ' A' ' 3' ' ' ILE . 43.6 Cg_endo -68.46 133.75 28.95 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.508 2.139 . . . . 0.0 112.505 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.429 ' N ' ' O ' ' A' ' 29' ' ' LEU . 44.5 mm -95.0 -21.11 5.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.582 179.404 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.6 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 0.4 OUTLIER -179.95 110.24 0.04 OUTLIER 'General case' 0 C--O 1.217 -0.62 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 178.869 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -128.43 109.84 11.77 Favored 'General case' 0 C--N 1.312 -1.049 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.246 179.63 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.15 -175.05 4.38 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.25 -179.733 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -88.93 125.71 35.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.955 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.452 ' HB2' ' CG2' ' A' ' 27' ' ' VAL . 7.6 mp -115.6 162.97 16.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.449 179.666 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.434 ' CD2' ' HB2' ' A' ' 22' ' ' TRP . 1.1 mp -98.66 141.8 31.02 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.227 179.296 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.446 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.0 OUTLIER -129.37 107.53 9.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.821 0.343 . . . . 0.0 111.097 -179.669 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.415 ' HB3' ' CE2' ' A' ' 22' ' ' TRP . 3.7 ptt180 -56.62 147.96 21.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.106 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -147.73 81.28 1.5 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 166.14 -151.26 19.52 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.439 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 54.9 m-20 -83.5 178.86 7.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.876 0.37 . . . . 0.0 110.914 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.7 m -78.64 -37.41 42.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.824 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.4 -34.12 65.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.839 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.1 t-20 -118.54 78.6 1.28 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -73.57 158.96 33.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.045 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -164.32 98.48 0.82 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.821 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.495 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 3.3 m95 -93.65 131.5 38.89 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.35 -178.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.97 155.49 18.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.392 179.612 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.1 mmtp -63.09 121.3 13.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.982 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.7 mmtm -122.95 174.39 7.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.77 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.456 ' CD1' ' HB2' ' A' ' 44' ' ' TYR . 54.5 t80 -130.3 114.93 16.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.386 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.452 ' CG2' ' HB2' ' A' ' 10' ' ' LEU . 1.7 t -121.82 146.35 27.06 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.259 0 CA-C-O 121.047 0.451 . . . . 0.0 111.97 -179.442 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 86.9 m -138.75 111.45 7.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.641 177.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.53 ' HB2' ' CZ3' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -89.31 116.39 27.5 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 178.553 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.6 p -100.19 158.95 15.49 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.928 0.394 . . . . 0.0 111.542 -178.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.7 p -77.55 -0.03 24.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.089 179.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -90.41 26.16 2.04 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-O 120.832 0.348 . . . . 0.0 111.286 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 55.59 42.26 83.94 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.484 -0.865 . . . . 0.0 111.262 -179.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.421 ' CE2' ' HB2' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -137.35 129.77 29.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.935 0.397 . . . . 0.0 111.443 -179.078 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.664 ' HG ' ' CZ3' ' A' ' 102' ' ' TRP . 2.8 tp -109.48 116.94 32.73 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.659 179.079 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -113.99 144.93 42.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.98 0.419 . . . . 0.0 111.566 -179.215 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.408 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -154.32 134.69 13.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.507 179.442 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.478 ' CD2' ' HA2' ' A' ' 50' ' ' GLY . 0.1 OUTLIER -123.01 159.26 54.75 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.894 -179.276 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -50.23 -30.41 25.85 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.776 2.317 . . . . 0.0 112.548 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -172.47 -175.18 1.31 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.063 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.4 mp -62.29 -44.49 99.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.019 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.49 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 1.2 m120 -51.82 -29.39 19.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.262 0.553 . . . . 0.0 109.996 179.372 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.427 ' O ' ' HA ' ' A' ' 47' ' ' SER . 1.8 m-20 -76.98 -37.24 55.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.828 179.429 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.456 ' HB2' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -71.58 -51.37 23.72 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.283 0.563 . . . . 0.0 110.288 179.466 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.423 HG21 ' CD2' ' A' ' 46' ' ' HIS . 15.1 mt -60.29 -61.73 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.097 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.49 ' CD2' ' O ' ' A' ' 42' ' ' ASN . 13.0 m-70 -73.52 -24.6 60.17 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.786 -1.097 . . . . 0.0 112.221 -178.637 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.427 ' HA ' ' O ' ' A' ' 43' ' ' ASP . 4.2 t 76.1 73.16 0.08 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.885 0.374 . . . . 0.0 111.297 179.528 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 49.3 p -118.39 116.56 26.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.92 179.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 76.39 -60.04 0.49 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.516 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.478 ' HA2' ' CD2' ' A' ' 38' ' ' HIS . . . 45.66 90.32 0.01 OUTLIER Glycine 0 N--CA 1.453 -0.181 0 CA-C-N 115.578 -0.737 . . . . 0.0 113.062 179.744 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.9 133.21 35.3 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.724 0.297 . . . . 0.0 110.785 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.421 ' HB2' ' CE2' ' A' ' 34' ' ' PHE . 5.7 pt-20 -132.93 133.28 43.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.108 0.48 . . . . 0.0 110.916 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.548 ' CE ' ' CG ' ' A' ' 102' ' ' TRP . 0.5 OUTLIER -117.42 119.85 36.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.466 -179.742 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -62.15 127.82 33.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.542 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.487 ' O ' ' HA ' ' A' ' 123' ' ' ILE . 0.4 OUTLIER -97.28 40.33 1.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.437 -179.544 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.36 -46.24 12.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.817 0.341 . . . . 0.0 110.948 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.405 ' NH1' ' HB3' ' A' ' 57' ' ' ARG . 4.1 mmm180 -139.72 36.14 2.0 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.728 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.03 157.15 31.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.142 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.02 150.5 42.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.401 179.443 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.2 t -104.8 114.35 44.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.167 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.87 142.33 33.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.806 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.417 ' O ' ' N ' ' A' ' 64' ' ' GLY . 11.3 m -137.52 125.38 14.23 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.146 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 62' ' ' VAL . 22.1 Cg_exo -64.58 69.8 0.24 Allowed 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.465 2.11 . . . . 0.0 111.978 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 62' ' ' VAL . . . 109.23 89.31 2.01 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.314 -179.744 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -48.67 173.28 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.83 0.347 . . . . 0.0 111.107 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.417 ' CB ' ' HD2' ' A' ' 67' ' ' PRO . 26.4 mtt180 63.41 167.2 0.1 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.567 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.417 ' HD2' ' CB ' ' A' ' 66' ' ' ARG . 9.5 Cg_endo -52.28 141.45 49.68 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.506 2.138 . . . . 0.0 112.07 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.42 ' HG3' ' CE1' ' A' ' 90' ' ' PHE . 38.5 Cg_endo -66.46 130.87 24.74 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.551 2.167 . . . . 0.0 112.409 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 46.59 41.07 9.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.223 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.88 -26.33 61.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.246 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.2 mp -57.74 -43.57 84.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.105 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.0 m 56.96 -172.33 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.033 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.67 17.53 10.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.717 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -68.09 122.04 17.41 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.999 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.83 -148.77 17.07 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.531 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -67.96 -22.88 41.36 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.59 2.193 . . . . 0.0 112.384 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.5 m -68.05 77.03 0.23 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.966 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.33 -30.9 60.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.05 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 10.0 t -163.51 78.62 0.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.843 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -57.78 -175.94 0.48 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.569 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 32.7 t -95.59 124.92 39.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.802 0.334 . . . . 0.0 110.956 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -150.27 144.85 25.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.046 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -80.39 -74.88 1.09 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.51 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -161.64 81.32 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.8 0.333 . . . . 0.0 110.928 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -140.83 175.88 9.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -108.51 148.54 30.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.01 -24.3 62.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.104 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.412 ' HB3' ' CZ ' ' A' ' 109' ' ' PHE . 19.7 mm-40 -118.46 55.25 0.91 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.869 0.366 . . . . 0.0 111.124 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.93 103.62 9.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.492 179.638 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.444 ' CD2' ' HG2' ' A' ' 112' ' ' ARG . 3.0 m-85 -102.36 104.09 14.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.066 -179.499 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -144.91 132.4 20.84 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -122.0 162.45 21.11 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.962 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -123.77 149.58 45.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.983 0.42 . . . . 0.0 111.541 -179.593 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.502 ' HB ' ' HB2' ' A' ' 102' ' ' TRP . 9.2 mm -120.55 108.68 23.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.378 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 87.6 t -101.21 130.47 50.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.031 0.444 . . . . 0.0 111.629 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.64 -174.06 3.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.258 179.105 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.5 t -82.96 -16.74 46.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.413 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.1 t -102.12 23.87 10.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.896 0.379 . . . . 0.0 111.144 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 82.85 -19.85 10.89 Favored Glycine 0 CA--C 1.52 0.389 0 C-N-CA 120.708 -0.758 . . . . 0.0 113.308 179.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -48.57 123.56 6.91 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 117.15 0.475 . . . . 0.0 110.749 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.426 ' HA ' ' O ' ' A' ' 94' ' ' ILE . 1.3 m -125.36 114.56 19.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.027 0.442 . . . . 0.0 111.887 -179.386 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.664 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 33.7 m0 -97.79 106.95 19.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.182 178.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.495 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.8 OUTLIER -97.09 116.54 29.47 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.523 179.255 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.574 ' CZ ' ' HB3' ' A' ' 102' ' ' TRP . 17.9 m-85 -123.72 164.74 18.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.372 0.606 . . . . 0.0 111.896 -179.777 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.447 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 36.4 tt0 -129.8 106.56 8.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.153 -0.931 . . . . 0.0 109.722 178.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -52.39 127.56 22.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.736 -179.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.85 -29.19 70.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.554 179.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -125.8 146.86 49.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.38 179.636 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.412 ' CZ ' ' HB3' ' A' ' 88' ' ' GLU . 17.6 m-85 -62.3 -34.27 76.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.155 -179.633 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.12 -43.71 70.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.126 0.489 . . . . 0.0 110.353 179.558 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.15 -31.54 72.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.618 179.534 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.444 ' HG2' ' CD2' ' A' ' 90' ' ' PHE . 7.1 tpt180 -55.97 -45.19 78.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.909 -179.651 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -74.35 -42.86 58.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.648 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -55.23 -51.42 66.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.869 0.366 . . . . 0.0 110.235 179.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.6 ' CH2' ' O ' ' A' ' 6' ' ' LYS . 51.4 m95 -56.49 -56.98 14.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.655 178.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 55.9 t -53.24 -35.51 23.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-O 120.85 0.357 . . . . 0.0 110.236 179.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.87 -31.87 61.73 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.735 178.686 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.402 ' CB ' ' CG2' ' A' ' 5' ' ' ILE . . . -69.63 -35.24 75.05 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.324 179.273 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.579 HG12 ' O ' ' A' ' 115' ' ' TRP . 4.7 mm -68.33 -52.13 40.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.417 179.521 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -67.83 -32.76 73.52 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.29 179.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 40.8 t -67.85 -38.6 83.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.263 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.77 -32.63 71.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.257 179.456 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.487 ' HA ' ' O ' ' A' ' 55' ' ' LEU . 14.6 mt -74.09 -36.39 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.811 179.609 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 2.5 tt -68.62 -35.56 77.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.609 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.39 -32.25 58.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.974 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -78.09 -29.49 49.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.91 -68.36 0.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.969 0.414 . . . . 0.0 110.829 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.874 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.79 0.329 . . . . 0.0 111.251 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.59 171.19 8.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.09 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.1 mp -136.74 136.45 21.61 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -68.6 127.82 16.14 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.614 2.209 . . . . 0.0 112.502 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.413 HD13 ' CA ' ' A' ' 31' ' ' SER . 1.7 mp -94.02 -20.06 6.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.937 179.376 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.605 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 2.6 tptt -175.39 110.31 0.11 Allowed 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 179.019 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.404 ' HA ' ' HA ' ' A' ' 28' ' ' THR . 22.8 pt20 -130.65 108.72 10.11 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-O 120.898 0.38 . . . . 0.0 110.508 179.432 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.0 m -162.18 -175.14 4.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.154 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.418 ' CE1' HD13 ' A' ' 41' ' ' ILE . 1.1 m-85 -85.1 136.16 33.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.116 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.454 ' HB2' ' CG2' ' A' ' 27' ' ' VAL . 6.0 mp -128.12 153.53 46.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.35 179.595 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.437 ' CB ' ' HB3' ' A' ' 105' ' ' GLU . 1.2 mp -89.93 135.93 33.34 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 179.288 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.427 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.0 OUTLIER -124.72 119.39 28.82 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.846 0.355 . . . . 0.0 111.238 -179.724 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -47.46 148.02 1.51 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.252 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.3 t -74.97 -47.97 26.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.977 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 167.34 -69.21 0.18 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.578 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -59.57 142.55 52.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.828 0.347 . . . . 0.0 110.945 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.87 -44.22 13.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.0 tp -59.48 -36.18 75.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.858 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.9 t30 -118.75 71.13 0.84 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.749 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -57.65 151.17 17.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -166.97 99.72 0.54 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.787 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.483 ' CD1' ' N ' ' A' ' 22' ' ' TRP . 4.1 m95 -93.06 139.47 30.51 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.508 -178.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.6 161.61 15.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.348 179.545 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.82 108.94 7.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.042 0.449 . . . . 0.0 111.156 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.6 mmmt -108.13 -179.08 3.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.491 179.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.458 ' CD1' ' HB2' ' A' ' 44' ' ' TYR . 55.5 t80 -136.05 114.63 11.85 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.223 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.454 ' CG2' ' HB2' ' A' ' 10' ' ' LEU . 1.6 t -119.05 145.26 25.39 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.392 0 CA-C-O 120.995 0.426 . . . . 0.0 111.78 -179.404 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.404 ' HA ' ' HA ' ' A' ' 7' ' ' GLN . 95.2 m -138.74 111.14 7.47 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.934 177.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.523 ' HB2' ' CZ3' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -89.2 114.93 26.3 Favored 'General case' 0 N--CA 1.444 -0.741 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 177.928 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 26.7 t -102.35 164.56 11.61 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.988 0.423 . . . . 0.0 111.532 -178.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.413 ' CA ' HD13 ' A' ' 5' ' ' ILE . 5.5 t -80.29 2.98 22.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.113 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -92.84 26.0 2.93 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.043 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 53.26 43.26 64.29 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.602 -0.809 . . . . 0.0 111.689 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -139.58 123.65 17.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.026 0.441 . . . . 0.0 111.516 -179.496 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.672 ' HG ' ' CZ3' ' A' ' 102' ' ' TRP . 2.6 tp -101.43 116.98 34.02 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.648 179.05 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -113.03 144.03 43.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.054 0.454 . . . . 0.0 111.725 -179.226 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.424 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -152.44 125.21 8.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.34 179.234 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.461 ' HB3' ' CB ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -116.28 161.57 30.73 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.675 -179.411 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -47.64 -39.95 30.33 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.722 2.282 . . . . 0.0 112.989 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.3 p -166.61 -176.2 3.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.763 0.316 . . . . 0.0 111.116 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.418 HD13 ' CE1' ' A' ' 9' ' ' PHE . 3.4 mp -58.23 -44.17 87.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.11 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.521 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 30.3 m120 -51.81 -27.4 12.28 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.436 0.636 . . . . 0.0 109.923 179.127 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.461 ' CB ' ' HB3' ' A' ' 38' ' ' HIS . 4.0 m-20 -76.95 -38.92 52.39 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.811 179.553 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.458 ' HB2' ' CD1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -72.47 -51.38 20.42 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 121.248 0.547 . . . . 0.0 110.008 179.46 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.45 HG22 ' CD2' ' A' ' 46' ' ' HIS . 19.4 mt -56.58 -61.3 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.965 179.61 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.521 ' CD2' ' O ' ' A' ' 42' ' ' ASN . 14.4 m-70 -73.72 -25.69 60.33 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.743 -178.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 75.02 72.12 0.09 Allowed 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 178.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.44 ' CG2' ' HA ' ' A' ' 43' ' ' ASP . 27.6 p -86.59 -152.91 0.19 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 178.707 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -38.79 -56.37 1.36 Allowed 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.919 0.39 . . . . 0.0 111.375 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.45 ' HA2' ' CD2' ' A' ' 38' ' ' HIS . . . 59.15 99.15 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.713 179.55 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.406 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -80.42 137.78 36.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.771 0.32 . . . . 0.0 110.923 179.775 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -131.95 133.31 44.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.835 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.541 ' CE ' ' CG ' ' A' ' 102' ' ' TRP . 0.5 OUTLIER -117.28 119.32 34.81 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.525 -179.85 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -55.89 129.78 40.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.501 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.437 ' O ' ' HA ' ' A' ' 123' ' ' ILE . 44.6 mt -94.91 30.55 2.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.474 -179.421 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.13 -59.27 2.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.835 0.35 . . . . 0.0 110.586 179.737 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.42 55.02 1.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.133 0.492 . . . . 0.0 110.408 179.669 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.406 ' OG1' ' HA ' ' A' ' 55' ' ' LEU . 0.1 OUTLIER -100.9 162.21 13.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.175 -179.725 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -133.01 160.64 36.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.526 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.7 t -131.12 122.62 51.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.579 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.3 ptpt -145.98 162.06 38.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.01 0.433 . . . . 0.0 111.614 -179.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.43 ' CG1' ' HD2' ' A' ' 63' ' ' PRO . 3.3 t -95.01 139.91 22.26 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.515 179.704 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.43 ' HD2' ' CG1' ' A' ' 62' ' ' VAL . 92.9 Cg_exo -45.4 91.73 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.631 2.221 . . . . 0.0 113.178 -179.445 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.28 -55.67 4.96 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.948 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.6 ttpp -72.86 167.47 20.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.986 0.422 . . . . 0.0 111.279 -179.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.492 ' HB2' ' HD2' ' A' ' 67' ' ' PRO . 7.2 ptm180 -82.34 171.39 12.0 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.465 179.744 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.492 ' HD2' ' HB2' ' A' ' 66' ' ' ARG . 76.1 Cg_exo -52.08 144.66 36.65 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.265 1.977 . . . . 0.0 112.137 -179.67 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -73.33 96.46 0.89 Allowed 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.643 2.229 . . . . 0.0 112.523 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.87 140.41 24.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.737 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.62 -38.32 77.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 32.5 mm -70.64 -33.46 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.101 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 27.5 p -108.14 48.86 0.83 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.61 17.56 10.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.682 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -75.15 140.45 43.37 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.849 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 179.54 90.77 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.513 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -52.3 139.18 54.91 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.571 2.18 . . . . 0.0 112.339 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -113.76 102.99 10.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -84.53 -31.07 24.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.149 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.0 t -89.42 53.19 2.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 112.29 -166.21 12.17 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.534 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.5 p -143.33 37.07 1.36 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.824 0.345 . . . . 0.0 110.881 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -79.18 164.1 24.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.137 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -149.1 59.69 0.45 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.458 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -160.95 73.01 0.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.895 0.378 . . . . 0.0 110.921 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -154.57 32.12 0.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.099 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -153.86 31.83 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.814 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -68.25 -49.53 60.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.443 ' HA ' ' CZ ' ' A' ' 109' ' ' PHE . 2.5 mt-10 -138.77 40.83 2.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.848 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -120.95 103.6 9.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.954 0.407 . . . . 0.0 111.032 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.545 ' CD1' ' N ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -128.57 132.3 48.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.878 179.839 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -150.19 130.69 13.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.65 -179.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -121.08 147.89 44.92 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.806 0.336 . . . . 0.0 111.368 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.408 ' CD2' ' HB2' ' A' ' 103' ' ' HIS . 2.7 mt -111.0 143.47 41.64 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.465 -179.418 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.555 ' HB ' ' HB2' ' A' ' 102' ' ' TRP . 11.1 mm -114.55 108.71 26.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.229 179.588 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 91.4 t -103.08 128.36 56.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.972 0.415 . . . . 0.0 111.845 -179.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.84 -174.05 3.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.093 179.067 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.6 m -88.28 0.01 56.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.549 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.5 t -114.81 23.01 12.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.89 0.376 . . . . 0.0 110.83 179.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 82.52 -20.57 8.73 Favored Glycine 0 CA--C 1.52 0.345 0 C-N-CA 120.723 -0.751 . . . . 0.0 113.31 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -53.4 126.81 22.61 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.977 0.389 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' A' ' 94' ' ' ILE . 10.7 m -127.36 114.69 17.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.507 -179.67 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.672 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 37.3 m0 -95.32 105.8 17.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.362 179.212 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.458 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.9 OUTLIER -94.17 116.42 28.83 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.959 179.601 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.566 ' CZ ' ' HB3' ' A' ' 102' ' ' TRP . 16.9 m-85 -126.62 153.82 44.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.274 0.559 . . . . 0.0 111.591 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.466 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 50.2 tt0 -116.07 108.77 16.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.602 178.643 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.405 ' CB ' ' HB2' ' A' ' 112' ' ' ARG . . . -53.45 125.05 16.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.88 -179.011 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -71.83 -31.7 66.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.234 179.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -120.52 136.13 54.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.27 179.502 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.542 ' CE1' ' CD1' ' A' ' 90' ' ' PHE . 0.8 OUTLIER -55.05 -51.92 64.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.289 -179.442 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.77 -39.62 85.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.994 0.426 . . . . 0.0 110.675 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.419 ' HG2' ' CD1' ' A' ' 115' ' ' TRP . 2.2 tt0 -65.46 -33.09 75.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.861 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.405 ' HB2' ' CB ' ' A' ' 106' ' ' ALA . 0.0 OUTLIER -56.57 -49.69 74.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.129 -179.876 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -68.67 -39.16 80.75 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.504 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 118' ' ' ALA . . . -58.74 -50.03 75.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.281 179.38 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.605 ' CH2' ' O ' ' A' ' 6' ' ' LYS . 55.1 m95 -58.64 -54.76 43.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 178.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 53.3 t -55.02 -35.94 36.68 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -78.42 -28.14 46.73 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.297 178.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 114' ' ' ALA . . . -67.98 -51.77 43.53 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.298 179.443 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 3.6 mp -61.46 -46.12 97.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.189 179.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.97 -32.66 74.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.973 0.416 . . . . 0.0 110.331 179.281 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 30.7 t -70.31 -45.03 67.09 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.772 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -64.18 -31.41 72.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.436 179.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.437 ' HA ' ' O ' ' A' ' 55' ' ' LEU . 34.8 mt -73.55 -36.25 47.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.925 179.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 1.5 mp -68.79 -36.35 78.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.703 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.34 -31.23 58.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.047 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.23 -28.81 47.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 16.0 mt -59.54 -47.09 86.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.812 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.912 179.972 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 120.811 0.339 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -92.14 158.52 16.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.1 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.401 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 3.8 mt -124.02 133.86 24.97 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.998 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 25.2 Cg_exo -62.26 128.06 22.81 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.386 2.057 . . . . 0.0 112.347 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.495 ' N ' ' O ' ' A' ' 29' ' ' LEU . 40.9 mm -93.84 -19.58 6.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.095 179.694 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.61 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 0.2 OUTLIER 177.08 110.71 0.02 OUTLIER 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 179.086 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -129.64 117.0 19.68 Favored 'General case' 0 C--N 1.311 -1.072 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.332 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 99.0 p -172.29 -175.13 1.35 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.007 0.432 . . . . 0.0 111.193 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.416 ' CE1' HD11 ' A' ' 41' ' ' ILE . 6.6 m-85 -84.64 134.92 34.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.053 -179.768 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.438 ' HB2' ' CG2' ' A' ' 27' ' ' VAL . 6.5 mp -126.84 151.51 48.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.651 179.745 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.414 ' CD2' ' HB2' ' A' ' 22' ' ' TRP . 1.1 mp -86.49 139.46 30.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.482 179.703 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.445 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.0 OUTLIER -130.16 108.53 10.12 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.326 -179.792 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.428 ' HB3' ' CE2' ' A' ' 22' ' ' TRP . 3.5 ptt85 -59.01 147.3 35.07 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 179.652 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.2 t -161.27 116.05 2.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.94 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 149.03 -75.37 0.26 Allowed Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.457 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 -166.13 177.38 6.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.805 0.335 . . . . 0.0 111.013 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.13 -35.53 21.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.909 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.13 -34.11 75.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.942 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -132.91 85.39 2.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.403 ' HD3' ' CZ2' ' A' ' 22' ' ' TRP . 10.1 mttt -64.26 159.63 20.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -164.33 98.66 0.82 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.808 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.501 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 4.1 m95 -92.98 134.76 34.79 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.546 -178.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.28 153.56 24.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.109 179.444 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.1 119.56 9.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.019 0.437 . . . . 0.0 110.932 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.65 -177.32 3.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.542 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.533 ' CE1' ' CG ' ' A' ' 44' ' ' TYR . 39.2 t80 -138.84 115.1 10.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.346 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.444 ' HB ' ' CH2' ' A' ' 115' ' ' TRP . 1.8 t -121.88 147.32 25.97 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.3 0 CA-C-O 120.954 0.407 . . . . 0.0 111.764 -179.274 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 90.4 m -138.68 110.39 7.12 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.08 177.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.543 ' HB2' ' CZ3' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -89.53 115.27 26.82 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 177.606 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 26.6 t -105.48 161.22 14.52 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.022 0.439 . . . . 0.0 111.32 -178.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.1 t -76.07 2.1 13.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.195 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -91.08 26.06 2.27 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.745 0.307 . . . . 0.0 111.132 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 52.43 40.67 54.36 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.695 -0.764 . . . . 0.0 111.799 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.419 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -138.27 123.5 19.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.067 0.461 . . . . 0.0 111.339 -179.537 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.657 ' HG ' ' CZ3' ' A' ' 102' ' ' TRP . 2.0 tp -101.25 116.98 34.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.727 179.215 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -112.3 148.51 34.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.014 0.435 . . . . 0.0 111.585 -179.297 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.484 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -158.83 132.23 7.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.662 179.383 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.461 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 0.1 OUTLIER -120.09 162.99 30.71 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.27 -179.539 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.461 ' HD2' ' HB3' ' A' ' 38' ' ' HIS . 42.7 Cg_endo -68.65 -28.26 31.34 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.299 2.0 . . . . 0.0 112.73 -179.714 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 74.4 m -154.34 163.02 40.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.719 0.295 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.416 HD11 ' CE1' ' A' ' 9' ' ' PHE . 2.6 mp -56.23 -39.24 58.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.639 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.498 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 33.1 m-80 -53.03 -28.54 24.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.296 0.57 . . . . 0.0 109.942 179.051 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.442 ' CB ' ' HB3' ' A' ' 38' ' ' HIS . 1.4 m-20 -77.06 -37.49 54.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.684 179.545 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.533 ' CG ' ' CE1' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -71.27 -51.18 25.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.256 0.551 . . . . 0.0 110.201 179.534 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.419 HG13 ' CD2' ' A' ' 44' ' ' TYR . 24.0 mt -60.05 -62.14 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.169 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.498 ' CD2' ' O ' ' A' ' 42' ' ' ASN . 12.7 m-70 -73.54 -24.55 60.14 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.69 -1.141 . . . . 0.0 112.182 -178.565 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.434 ' HA ' ' O ' ' A' ' 43' ' ' ASP . 1.5 m 76.42 73.45 0.08 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.895 0.379 . . . . 0.0 111.299 179.541 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.459 ' O ' ' HB2' ' A' ' 49' ' ' HIS . 44.1 p -120.27 117.74 28.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.618 179.461 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.459 ' HB2' ' O ' ' A' ' 48' ' ' THR . 12.6 m170 71.42 -61.15 0.49 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.23 -179.226 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.439 ' HA2' ' CD2' ' A' ' 38' ' ' HIS . . . 41.5 88.23 0.01 OUTLIER Glycine 0 N--CA 1.454 -0.103 0 CA-C-N 115.505 -0.77 . . . . 0.0 113.091 179.421 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.453 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -68.86 135.79 51.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.782 0.325 . . . . 0.0 110.644 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.419 ' HG2' ' CD1' ' A' ' 34' ' ' PHE . 1.9 mt-10 -131.82 133.19 44.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.539 ' CE ' ' CG ' ' A' ' 102' ' ' TRP . 0.5 OUTLIER -118.11 118.14 31.09 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.438 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -56.99 131.57 50.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.518 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.454 ' O ' ' HA ' ' A' ' 123' ' ' ILE . 1.1 mt -95.99 27.55 3.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.55 -179.251 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.0 mt -83.16 -54.57 4.93 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.783 0.325 . . . . 0.0 110.746 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.29 57.0 1.42 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.655 179.73 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -105.73 162.07 13.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.037 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.91 153.11 50.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.745 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 15.8 t -124.91 124.17 67.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.801 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.99 164.69 38.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.908 0.385 . . . . 0.0 111.694 -179.71 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 34.4 m -107.36 156.37 37.83 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.81 179.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -82.49 98.73 0.92 Allowed 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.621 2.214 . . . . 0.0 112.937 -179.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.15 -54.91 4.91 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.919 179.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.11 170.55 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.824 0.345 . . . . 0.0 111.232 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -86.55 161.55 47.88 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.65 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_endo -61.83 118.64 5.53 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.439 2.093 . . . . 0.0 112.076 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -57.46 126.83 23.17 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.378 2.052 . . . . 0.0 112.18 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.36 155.59 46.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.961 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.3 -42.55 65.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.198 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.8 mp -126.87 -67.45 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.001 0.429 . . . . 0.0 111.182 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.6 t 61.26 115.09 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.18 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.79 17.48 10.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.724 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -86.09 165.79 16.34 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.877 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 59.14 83.22 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.51 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.35 174.47 0.1 OUTLIER 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.604 2.203 . . . . 0.0 112.293 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 93.4 p -90.59 125.13 35.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.975 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -83.95 -31.19 25.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.1 m 60.55 89.6 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 135.19 -43.78 1.23 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 26.0 m -71.55 120.23 16.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.783 0.325 . . . . 0.0 110.961 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -104.21 177.38 4.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 75.37 25.54 68.0 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.476 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -116.01 -36.96 3.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.847 0.356 . . . . 0.0 110.923 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -87.87 -167.59 1.93 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.042 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 45.65 31.68 1.02 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.435 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -61.92 -48.42 80.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.687 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.516 ' HA ' ' CZ ' ' A' ' 109' ' ' PHE . 3.6 mt-10 56.0 27.55 11.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.455 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -105.7 103.37 12.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.779 0.323 . . . . 0.0 110.979 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.579 ' CD1' ' CE1' ' A' ' 109' ' ' PHE . 0.1 OUTLIER -125.64 106.24 9.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.116 0.484 . . . . 0.0 111.315 179.665 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -140.93 129.88 23.18 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.946 179.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -124.97 144.8 50.18 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.964 0.412 . . . . 0.0 111.548 -179.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -109.29 142.44 40.17 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.972 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.53 ' HB ' ' HB2' ' A' ' 102' ' ' TRP . 14.2 mm -110.89 108.49 25.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.355 179.469 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 69.0 t -100.19 131.63 47.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.965 0.412 . . . . 0.0 111.439 -179.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.1 -174.04 2.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.161 179.323 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.9 t -83.84 -16.49 44.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.401 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.8 t -102.18 23.46 11.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.862 0.363 . . . . 0.0 111.201 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 82.06 -19.77 9.47 Favored Glycine 0 CA--C 1.52 0.382 0 C-N-CA 120.651 -0.785 . . . . 0.0 113.409 179.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.52 119.99 4.69 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 117.038 0.419 . . . . 0.0 110.74 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.444 ' HA ' ' O ' ' A' ' 94' ' ' ILE . 0.8 OUTLIER -121.69 114.86 21.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.968 0.413 . . . . 0.0 111.754 -179.256 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.657 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 33.3 m0 -97.18 105.48 17.63 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.027 178.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.501 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.8 OUTLIER -95.03 116.4 28.65 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.696 179.539 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.577 ' CZ ' ' HB3' ' A' ' 102' ' ' TRP . 18.6 m-85 -124.84 160.67 28.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.335 0.588 . . . . 0.0 111.811 -179.748 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.466 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 0.7 OUTLIER -125.86 108.61 11.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.644 178.79 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -53.87 121.17 7.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.572 -179.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.21 -34.23 73.36 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.46 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.6 p -117.67 149.31 40.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.424 179.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.579 ' CE1' ' CD1' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -62.85 -29.37 70.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.192 -179.582 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -74.17 -32.75 63.22 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.001 0.429 . . . . 0.0 110.967 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.29 -34.77 65.93 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.165 -179.038 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.508 ' HG3' ' O ' ' A' ' 109' ' ' PHE . 2.3 ppt_? -56.53 -44.44 80.81 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.0 -179.235 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -74.83 -49.66 19.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.786 0.327 . . . . 0.0 110.865 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -52.56 -52.64 54.01 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.556 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.61 ' CH2' ' O ' ' A' ' 6' ' ' LYS . 53.9 m95 -56.54 -53.33 58.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.942 179.034 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 83.4 t -55.53 -35.03 36.56 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-O 120.952 0.406 . . . . 0.0 110.259 179.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -79.16 -29.19 42.9 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.589 179.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.62 -50.72 62.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.058 0.456 . . . . 0.0 110.484 179.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.406 HG13 HD22 ' A' ' 29' ' ' LEU . 3.9 mp -64.17 -46.95 92.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.076 179.3 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -64.87 -32.64 74.44 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.887 0.375 . . . . 0.0 110.288 179.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.1 m -69.31 -47.91 63.09 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.647 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -60.81 -32.77 72.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.496 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.454 ' HA ' ' O ' ' A' ' 55' ' ' LEU . 33.0 mt -72.7 -36.3 52.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.869 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 40.2 tp -68.7 -37.2 79.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.734 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.34 -29.0 57.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.045 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.32 -31.44 38.09 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.993 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.65 -30.85 63.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.973 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 70.9 mm-40 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.903 -179.958 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.853 0.359 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -113.13 171.46 7.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.161 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 20.1 mm -117.28 132.6 23.44 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.813 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -56.88 125.64 19.66 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.279 1.986 . . . . 0.0 112.409 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.5 ' N ' ' O ' ' A' ' 29' ' ' LEU . 43.3 mm -93.11 -20.7 6.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.273 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.622 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 0.3 OUTLIER 179.08 110.45 0.03 OUTLIER 'General case' 0 C--O 1.218 -0.59 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.081 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -129.82 108.91 10.51 Favored 'General case' 0 C--N 1.312 -1.022 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.504 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.1 m -163.63 -175.15 4.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.288 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -83.23 140.3 32.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.021 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.428 ' HB2' ' CG2' ' A' ' 27' ' ' VAL . 5.5 mp -133.5 156.6 47.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.543 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.425 ' O ' ' HA ' ' A' ' 104' ' ' PHE . 1.3 tp -93.83 130.66 39.77 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 179.11 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.413 ' CB ' ' HG3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -116.19 118.76 33.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.001 0.429 . . . . 0.0 111.395 -179.436 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.7 ttp180 -52.38 148.0 7.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.039 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 93.0 p -97.63 -37.39 9.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.968 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 158.85 162.12 11.67 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.495 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 63.22 142.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.828 0.347 . . . . 0.0 110.91 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.5 m -86.67 -55.99 3.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.96 -38.14 81.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.773 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -107.44 52.71 0.71 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.64 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.91 161.2 4.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.215 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -170.59 100.37 0.25 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.899 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.532 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 3.4 m95 -97.58 148.69 23.02 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.325 -179.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.28 158.99 28.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.584 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt -67.54 123.41 20.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.984 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.413 ' HG3' ' CB ' ' A' ' 12' ' ' LYS . 3.6 mttp -124.96 -177.47 3.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.754 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.496 ' CE1' ' CG ' ' A' ' 44' ' ' TYR . 43.7 t80 -137.83 114.78 10.74 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.075 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.445 ' HB ' ' CH2' ' A' ' 115' ' ' TRP . 1.7 t -119.66 146.54 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.971 0.415 . . . . 0.0 111.74 -179.307 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 89.7 m -138.71 110.82 7.31 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.054 177.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.548 ' HB2' ' CZ3' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -90.24 116.09 27.96 Favored 'General case' 0 N--CA 1.444 -0.725 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 177.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.2 t -105.43 159.55 15.83 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.034 0.445 . . . . 0.0 111.223 -178.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 t -74.6 1.99 10.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.224 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 35.4 p30 -90.27 26.01 2.04 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-O 120.836 0.35 . . . . 0.0 111.245 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 53.73 40.6 64.24 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.609 -0.805 . . . . 0.0 111.819 -179.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.425 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -137.95 126.14 23.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.974 0.416 . . . . 0.0 111.572 -179.449 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.657 ' HG ' ' CZ3' ' A' ' 102' ' ' TRP . 3.5 tp -104.31 116.98 33.11 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.636 179.261 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -114.2 147.46 38.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.976 0.417 . . . . 0.0 111.843 -179.055 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.431 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.3 OUTLIER -154.94 125.09 6.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.37 179.022 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.454 ' HB3' ' CB ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -115.3 162.02 26.71 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.748 -179.401 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -48.12 -48.3 16.97 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.71 2.273 . . . . 0.0 112.751 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.0 m -154.15 -171.11 3.76 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.805 0.336 . . . . 0.0 111.171 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.3 mp -64.02 -43.0 97.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.011 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.513 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 3.4 m-20 -51.87 -26.91 11.12 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.367 0.603 . . . . 0.0 110.134 179.267 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.454 ' CB ' ' HB3' ' A' ' 38' ' ' HIS . 4.1 m-20 -76.84 -40.89 46.26 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.795 179.569 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.496 ' CG ' ' CE1' ' A' ' 26' ' ' TYR . 0.3 OUTLIER -71.12 -51.24 26.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.244 0.545 . . . . 0.0 110.036 179.41 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.437 HG23 ' CD2' ' A' ' 46' ' ' HIS . 24.4 mt -56.28 -61.94 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.022 179.587 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.513 ' CD2' ' O ' ' A' ' 42' ' ' ASN . 15.6 m-70 -73.51 -24.86 60.21 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.856 -1.065 . . . . 0.0 111.776 -178.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.8 m 74.73 71.77 0.1 Allowed 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 178.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.435 ' CG2' ' HA ' ' A' ' 43' ' ' ASP . 30.7 p -87.01 -153.53 0.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.758 178.716 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -39.21 -56.35 1.52 Allowed 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.978 0.418 . . . . 0.0 111.283 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.444 ' HA2' ' CD2' ' A' ' 38' ' ' HIS . . . 57.8 98.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 121.035 -0.602 . . . . 0.0 112.824 179.391 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.428 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . 1.7 mmtm -74.78 138.62 42.77 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.743 0.306 . . . . 0.0 110.783 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.425 ' HB3' ' CE2' ' A' ' 34' ' ' PHE . 3.9 mt-10 -132.83 133.13 42.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.016 0.436 . . . . 0.0 110.656 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.572 ' CE ' ' CG ' ' A' ' 102' ' ' TRP . 0.4 OUTLIER -119.04 121.04 38.96 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.398 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -57.0 131.13 48.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.564 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.419 ' HA ' ' OG1' ' A' ' 58' ' ' THR . 24.7 mt -95.57 22.8 6.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.548 -179.619 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.08 -57.32 3.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.828 0.347 . . . . 0.0 110.729 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.81 59.1 0.88 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.532 179.685 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.419 ' OG1' ' HA ' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -113.82 161.97 16.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.42 -179.526 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -129.33 152.29 49.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.01 179.475 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.405 ' HA ' ' O ' ' A' ' 93' ' ' LEU . 14.9 p -131.5 128.76 61.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.756 0.312 . . . . 0.0 111.058 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.86 158.44 38.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.496 -179.642 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 26.0 m -99.81 155.33 36.59 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.076 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -68.49 -164.76 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.382 2.054 . . . . 0.0 111.785 179.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -93.12 18.29 56.48 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.795 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.0 172.02 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.773 0.321 . . . . 0.0 111.188 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -60.98 166.69 4.41 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.502 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -61.83 118.48 5.36 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.349 2.033 . . . . 0.0 112.121 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -88.68 44.99 0.89 Allowed 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 122.839 2.36 . . . . 0.0 112.631 -179.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.39 83.66 7.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.909 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.54 -31.69 72.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.041 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 36.5 mm -64.63 -32.46 57.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.033 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.12 55.68 2.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.953 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.67 17.6 10.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.752 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -59.98 86.7 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.913 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -141.72 150.35 21.88 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.465 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.56 131.25 19.74 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.561 2.174 . . . . 0.0 112.357 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.3 p -175.56 67.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -89.09 -32.09 17.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.068 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.3 m -157.4 84.63 0.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 137.57 169.79 11.72 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.636 -0.793 . . . . 0.0 112.462 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 63.4 p -135.37 163.43 30.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.854 0.359 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -140.49 136.16 32.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.021 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -91.43 59.33 3.01 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.479 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -82.06 -78.08 0.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.84 0.352 . . . . 0.0 110.854 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -132.35 153.51 50.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.133 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -94.62 84.16 4.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -58.3 -24.18 58.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.122 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.435 ' HA ' ' CE2' ' A' ' 109' ' ' PHE . 2.0 mp0 -82.49 56.99 3.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.106 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -115.18 103.48 10.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.579 ' CD1' ' N ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -128.4 112.9 14.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.017 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -141.53 132.76 26.44 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.532 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 20.3 p90 -122.47 156.02 34.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.816 0.341 . . . . 0.0 111.269 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.405 ' O ' ' HA ' ' A' ' 60' ' ' VAL . 0.6 OUTLIER -119.04 149.54 41.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.298 -179.593 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.49 ' HB ' ' HB2' ' A' ' 102' ' ' TRP . 8.0 mm -122.45 108.72 22.29 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.194 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.227 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 58.2 t -102.54 132.71 48.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.107 0.48 . . . . 0.0 112.215 -179.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 44.2 t -94.21 -174.1 3.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.235 179.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 56.0 p -85.83 -11.04 54.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.355 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.0 t -105.33 23.39 13.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.909 0.385 . . . . 0.0 111.171 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 83.99 -21.17 10.2 Favored Glycine 0 CA--C 1.52 0.388 0 C-N-CA 120.742 -0.742 . . . . 0.0 113.401 179.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.31 128.72 23.11 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 117.001 0.401 . . . . 0.0 110.836 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 94' ' ' ILE . 1.8 m -130.36 114.81 16.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.95 0.405 . . . . 0.0 111.79 -179.675 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.657 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 35.4 m0 -95.34 105.56 17.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.222 178.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.532 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.7 OUTLIER -96.78 116.17 28.69 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.491 179.169 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.559 ' CZ ' ' HB3' ' A' ' 102' ' ' TRP . 19.4 m-85 -122.59 161.01 24.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.249 0.547 . . . . 0.0 111.739 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.447 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 0.1 OUTLIER -123.34 106.08 10.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.704 178.792 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.407 ' CB ' ' HB2' ' A' ' 112' ' ' ARG . . . -53.41 123.45 12.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.682 -179.195 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.26 -32.68 74.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.501 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.74 137.48 52.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.448 179.538 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.554 ' CE1' ' CD1' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -52.56 -47.8 66.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.257 -179.571 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.11 -36.96 85.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.031 0.444 . . . . 0.0 110.707 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.08 -36.69 77.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.03 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.407 ' HB2' ' CB ' ' A' ' 106' ' ' ALA . 2.9 tmm_? -56.86 -48.29 78.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.017 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.494 ' O ' HG13 ' A' ' 116' ' ' VAL . 4.6 m-20 -70.39 -27.56 64.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.905 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -70.97 -48.7 51.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.041 0.448 . . . . 0.0 109.803 179.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.622 ' CH2' ' O ' ' A' ' 6' ' ' LYS . 60.1 m95 -62.25 -48.79 78.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.652 178.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.494 HG13 ' O ' ' A' ' 113' ' ' ASP . 3.3 p -57.2 -35.75 49.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 121.02 0.438 . . . . 0.0 110.017 179.391 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -79.48 -32.0 42.48 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.057 179.156 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.412 ' CB ' ' CG2' ' A' ' 5' ' ' ILE . . . -65.09 -50.66 65.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.319 179.335 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 2.7 mp -62.69 -48.37 88.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.205 179.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -65.04 -32.76 74.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.914 0.387 . . . . 0.0 110.261 179.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.9 m -66.47 -44.64 82.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.623 179.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -65.05 -33.76 76.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.381 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 23.9 mt -73.95 -37.94 48.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.695 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 6.0 tp -68.73 -35.21 76.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.709 179.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -74.23 -35.29 63.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.923 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 27.4 m -71.41 -30.01 65.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.836 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 31.7 mt -66.6 -47.65 72.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.927 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 24.4 pt20 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.942 179.964 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.766 0.317 . . . . 0.0 111.201 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.49 171.66 8.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.207 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 20.2 mm -130.42 137.34 30.62 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.811 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo -55.46 126.59 23.0 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.279 1.986 . . . . 0.0 112.37 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.489 ' N ' ' O ' ' A' ' 29' ' ' LEU . 36.4 mm -94.61 -20.1 6.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.329 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.611 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 2.3 tptt 178.37 110.74 0.03 OUTLIER 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 179.011 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -129.44 111.15 12.5 Favored 'General case' 0 C--N 1.313 -1.002 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.364 179.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.9 t -164.32 -175.18 3.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.276 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -87.16 129.45 34.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.012 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.452 ' HB2' ' CG2' ' A' ' 27' ' ' VAL . 6.6 mp -120.77 157.92 28.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.572 179.419 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.43 ' CD2' ' HB2' ' A' ' 22' ' ' TRP . 1.4 tp -95.41 137.01 35.06 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 179.149 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.404 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.2 OUTLIER -127.75 117.22 21.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.846 0.355 . . . . 0.0 111.35 -179.514 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.8 ptt180 -59.48 148.08 34.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.858 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 46.7 t -79.65 -65.98 0.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.921 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 159.42 58.97 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.5 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -136.86 104.53 5.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.897 0.379 . . . . 0.0 110.795 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.1 p -64.82 -43.73 92.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.028 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.4 tp -58.92 -36.57 74.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.944 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -154.15 107.18 2.88 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.91 165.62 0.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.198 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -164.78 97.91 0.76 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.8 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.532 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 2.3 m95 -98.0 141.83 30.47 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.318 -178.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.48 160.35 20.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.379 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.5 mmtp -63.03 120.13 10.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.772 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 10' ' ' LEU . 2.7 tptt -120.14 175.87 5.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.072 -179.76 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.502 ' CE1' ' CG ' ' A' ' 44' ' ' TYR . 50.7 t80 -135.97 115.3 12.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.333 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.452 ' CG2' ' HB2' ' A' ' 10' ' ' LEU . 1.6 t -123.84 147.25 28.31 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.324 0 CA-C-O 121.008 0.432 . . . . 0.0 112.142 -179.14 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 87.0 m -138.76 110.54 7.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.974 177.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.584 ' HB2' ' CZ3' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -89.37 115.68 27.01 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 178.123 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.2 t -104.98 157.97 16.86 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.931 0.396 . . . . 0.0 111.021 -178.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.5 t -73.74 1.1 11.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.302 179.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -88.85 26.21 1.59 Allowed 'General case' 0 CA--C 1.523 -0.094 0 CA-C-O 120.83 0.347 . . . . 0.0 111.427 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 52.81 39.28 55.36 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.591 -0.814 . . . . 0.0 111.686 -179.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.415 ' CA ' HD13 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -137.08 123.51 20.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.957 0.408 . . . . 0.0 111.263 -179.484 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.646 ' HG ' ' CZ3' ' A' ' 102' ' ' TRP . 2.8 tp -102.46 117.01 33.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.721 179.157 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -112.45 144.9 41.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.96 0.41 . . . . 0.0 111.615 -179.062 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.451 ' CE1' ' CB ' ' A' ' 51' ' ' LYS . 0.2 OUTLIER -153.49 131.81 12.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.451 179.389 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.47 ' CD2' ' HA2' ' A' ' 50' ' ' GLY . 0.2 OUTLIER -120.9 160.02 46.54 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.821 -179.3 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -49.47 -30.11 20.11 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.729 2.286 . . . . 0.0 112.693 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -176.55 -174.66 0.59 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.815 0.34 . . . . 0.0 111.104 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.8 mp -59.16 -47.74 89.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.012 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.492 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 5.0 m-20 -51.78 -28.27 14.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.384 0.611 . . . . 0.0 110.197 179.305 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -76.93 -40.31 47.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.751 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.502 ' CG ' ' CE1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -70.06 -51.26 33.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.18 0.514 . . . . 0.0 110.185 179.503 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.434 HG22 ' CD2' ' A' ' 46' ' ' HIS . 23.0 mt -58.74 -62.35 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.426 -0.807 . . . . 0.0 111.089 179.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.492 ' CD2' ' O ' ' A' ' 42' ' ' ASN . 14.5 m-70 -73.37 -24.58 60.34 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.827 -1.079 . . . . 0.0 112.29 -178.534 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 m 76.83 74.09 0.07 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.917 0.389 . . . . 0.0 111.188 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 43.2 p -120.69 118.83 31.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.925 179.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 77.87 -60.14 0.43 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.519 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.47 ' HA2' ' CD2' ' A' ' 38' ' ' HIS . . . 45.46 89.19 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.235 0 CA-C-N 115.644 -0.707 . . . . 0.0 113.112 179.66 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.451 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -87.12 131.11 34.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.868 0.366 . . . . 0.0 110.827 179.86 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -130.19 133.22 46.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.102 0.477 . . . . 0.0 110.926 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.531 ' CE ' ' CG ' ' A' ' 102' ' ' TRP . 0.4 OUTLIER -115.87 119.76 37.01 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.272 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -60.03 124.78 21.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.457 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.463 ' O ' ' HA ' ' A' ' 123' ' ' ILE . 0.8 OUTLIER -92.32 41.82 1.08 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.473 -179.556 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.4 tp -83.31 -61.61 1.8 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.787 0.327 . . . . 0.0 110.83 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 70.8 mtt180 -125.14 36.34 4.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.694 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -75.53 161.44 29.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.83 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -130.09 151.64 50.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.502 179.73 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 5.2 m -119.74 127.06 75.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -147.07 164.25 33.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.864 0.364 . . . . 0.0 111.393 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.401 ' HB ' ' HD2' ' A' ' 63' ' ' PRO . 35.5 m -115.75 155.15 47.93 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.988 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.401 ' HD2' ' HB ' ' A' ' 62' ' ' VAL . 13.2 Cg_endo -56.35 -163.82 0.02 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.284 0 C-N-CA 122.588 2.192 . . . . 0.0 112.031 179.609 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -94.73 61.15 1.71 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.48 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.11 171.28 9.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.891 0.376 . . . . 0.0 110.898 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.4 161.98 29.45 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.029 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -71.02 118.73 5.85 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.564 2.176 . . . . 0.0 112.281 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.429 ' HB3' ' CE1' ' A' ' 90' ' ' PHE . 34.1 Cg_exo -59.85 102.7 0.18 Allowed 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.583 2.188 . . . . 0.0 112.282 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -79.12 100.87 7.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.07 -56.09 25.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.211 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.7 mt -74.69 -39.18 46.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.134 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.5 m 58.06 43.72 20.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.943 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.73 17.65 10.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.723 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -139.55 -170.58 2.95 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.841 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 62.57 104.01 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.488 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -67.66 129.7 20.51 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.453 2.102 . . . . 0.0 112.311 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 35.2 m -151.79 139.6 19.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.95 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.11 -32.43 73.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.178 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 10.8 t -172.21 80.86 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 67.64 -118.35 9.77 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.506 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -129.63 165.74 21.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.761 0.315 . . . . 0.0 110.851 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.86 -173.79 0.39 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.108 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -108.7 36.14 4.53 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.472 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -110.42 -33.97 6.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.765 0.317 . . . . 0.0 110.826 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -153.29 137.22 16.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.142 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.03 102.34 10.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.886 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.64 -23.96 64.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.196 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.411 ' HB3' ' CZ ' ' A' ' 109' ' ' PHE . 29.7 mp0 -91.8 24.9 2.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.484 -179.685 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -70.98 109.38 5.05 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.79 0.329 . . . . 0.0 110.515 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.49 ' CZ ' ' CD2' ' A' ' 109' ' ' PHE . 4.1 m-30 -93.65 104.11 16.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.202 -179.379 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -139.86 129.89 24.94 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.708 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 36.1 p90 -122.95 156.82 33.95 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.858 0.361 . . . . 0.0 110.862 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.404 ' HG ' ' CG ' ' A' ' 103' ' ' HIS . 0.5 OUTLIER -119.18 142.79 47.66 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.353 -179.471 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.494 ' HB ' ' HB2' ' A' ' 102' ' ' TRP . 12.6 mm -113.82 108.66 26.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.323 179.675 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 99.3 t -99.84 130.11 49.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.989 0.423 . . . . 0.0 111.727 -179.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.21 -174.2 3.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.24 179.273 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.7 t -83.95 -18.54 36.94 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.33 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.4 t -100.71 23.6 10.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.866 0.365 . . . . 0.0 111.133 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 84.68 -21.85 10.25 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 120.635 -0.793 . . . . 0.0 113.236 179.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -48.05 125.53 9.26 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.941 0.371 . . . . 0.0 110.859 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.447 ' HA ' ' O ' ' A' ' 94' ' ' ILE . 3.0 m -127.52 114.76 17.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.961 0.41 . . . . 0.0 111.822 -179.406 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.646 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 34.6 m0 -96.69 105.39 17.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.167 178.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.532 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.7 OUTLIER -94.98 116.31 28.53 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.517 179.421 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 102' ' ' TRP . 19.3 m-85 -122.98 165.97 15.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.297 0.57 . . . . 0.0 111.742 -179.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.402 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 34.2 tt0 -132.95 101.1 5.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.864 179.137 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -50.38 126.61 15.46 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.695 -179.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.64 -30.66 70.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.703 179.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.42 154.39 33.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.699 179.734 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.49 ' CD2' ' CZ ' ' A' ' 90' ' ' PHE . 4.2 m-85 -65.23 -55.19 19.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.056 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.49 -32.79 70.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.742 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.87 -39.23 87.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.57 -49.31 75.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.04 -179.73 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -63.34 -45.83 89.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.654 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 118' ' ' ALA . . . -54.11 -51.67 63.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.857 0.361 . . . . 0.0 110.27 179.426 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.611 ' CH2' ' O ' ' A' ' 6' ' ' LYS . 53.0 m95 -56.82 -54.66 43.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.93 178.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 95.9 t -55.08 -35.64 35.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.966 0.412 . . . . 0.0 110.315 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.4 ' O ' ' HB3' ' A' ' 121' ' ' SER . 0.2 OUTLIER -79.23 -27.96 42.48 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.375 179.109 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 114' ' ' ALA . . . -72.88 -38.26 67.03 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.423 179.498 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 1.9 mp -70.07 -49.02 59.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.212 179.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.82 -32.58 73.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.682 -0.236 . . . . 0.0 110.701 179.458 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.4 ' HB3' ' O ' ' A' ' 117' ' ' GLN . 83.4 p -69.93 -38.83 76.32 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-O 120.882 0.372 . . . . 0.0 110.154 179.49 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.83 -33.11 75.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.059 0.457 . . . . 0.0 109.912 179.075 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.463 ' HA ' ' O ' ' A' ' 55' ' ' LEU . 18.3 mt -72.25 -37.83 60.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.059 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.2 tp -68.38 -34.53 76.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.38 -35.14 58.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.071 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.1 t -78.27 -30.78 48.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 5.4 mt -71.16 -46.5 61.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.896 179.953 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.684 ' N ' ' HG ' ' A' ' 31' ' ' SER . 1.6 mp . . . . . 0 N--CA 1.455 -0.177 0 CA-C-O 120.614 0.245 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 37.6 Cg_exo -60.42 130.47 33.94 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.554 2.169 . . . . 0.0 112.249 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.432 HG22 ' HB2' ' A' ' 118' ' ' ALA . 29.4 mm -95.77 -19.83 6.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.142 179.566 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.614 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 0.0 OUTLIER 176.21 110.76 0.02 OUTLIER 'General case' 0 C--O 1.217 -0.654 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 179.007 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.713 ' HB3' HG23 ' A' ' 28' ' ' THR . 1.9 pt20 -130.59 111.73 12.5 Favored 'General case' 0 C--N 1.313 -0.994 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.43 179.535 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -166.21 -175.46 3.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.24 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.62 ' CE1' HD11 ' A' ' 41' ' ' ILE . 0.7 OUTLIER -79.13 149.38 32.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.926 -179.741 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.839 HD23 ' HB3' ' A' ' 104' ' ' PHE . 3.6 mp -144.33 149.76 36.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.642 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.482 HD23 ' HB2' ' A' ' 22' ' ' TRP . 1.1 mp -89.07 137.23 32.51 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.007 179.349 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.433 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.2 OUTLIER -129.49 122.82 30.05 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.94 0.4 . . . . 0.0 111.368 -179.494 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.46 ' HG2' ' CE2' ' A' ' 22' ' ' TRP . 30.6 mtm180 . . . . . 0 C--N 1.332 -0.181 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.318 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.2 mttt . . . . . 0 N--CA 1.456 -0.152 0 CA-C-O 121.03 0.443 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -167.43 99.45 0.5 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.854 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.494 ' CD1' ' N ' ' A' ' 22' ' ' TRP . 3.5 m95 -94.82 136.68 34.84 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.504 -178.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.36 159.26 17.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.47 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -70.46 120.19 15.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.979 0.418 . . . . 0.0 111.122 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.445 ' HD2' ' HA ' ' A' ' 39' ' ' PRO . 44.7 mmtt -122.68 -175.02 3.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.388 179.652 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.456 ' CE1' ' HB2' ' A' ' 44' ' ' TYR . 50.8 t80 -141.28 114.65 8.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.236 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.677 HG21 HD22 ' A' ' 10' ' ' LEU . 1.9 t -116.02 148.23 18.88 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.412 0 CA-C-O 121.052 0.453 . . . . 0.0 111.583 -179.357 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.713 HG23 ' HB3' ' A' ' 7' ' ' GLN . 89.7 m -138.65 111.53 7.78 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.076 178.056 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.732 HD12 ' OE1' ' A' ' 122' ' ' GLN . 0.2 OUTLIER -90.74 114.9 27.36 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 177.861 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.1 t -102.95 162.53 12.85 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.011 0.434 . . . . 0.0 111.392 -178.649 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.684 ' HG ' ' N ' ' A' ' 3' ' ' ILE . 83.1 p -76.94 2.52 14.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.191 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 -92.75 26.04 2.88 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-O 120.758 0.313 . . . . 0.0 111.256 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.448 ' C ' HD12 ' A' ' 55' ' ' LEU . . . 54.3 42.71 74.59 Favored Glycine 0 N--CA 1.448 -0.567 0 C-N-CA 120.577 -0.821 . . . . 0.0 111.672 -179.645 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.585 ' N ' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -138.73 132.73 31.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.075 0.464 . . . . 0.0 111.622 -179.426 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.924 HD23 HG21 ' A' ' 94' ' ' ILE . 1.8 tp -112.6 116.8 30.77 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.749 179.252 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.532 ' N ' HD12 ' A' ' 35' ' ' LEU . 0.3 OUTLIER -116.32 147.66 41.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.952 0.406 . . . . 0.0 111.659 -179.101 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.431 ' CE1' ' HB3' ' A' ' 51' ' ' LYS . 1.0 OUTLIER -149.3 129.36 13.54 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.743 179.373 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.487 ' CD2' ' HA3' ' A' ' 50' ' ' GLY . 0.3 OUTLIER -117.76 161.96 31.42 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.835 -179.318 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.445 ' HA ' ' HD2' ' A' ' 25' ' ' LYS . 76.9 Cg_exo -49.82 -37.7 45.84 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.669 2.246 . . . . 0.0 112.588 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.36 -168.85 1.46 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.81 0.338 . . . . 0.0 111.212 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.659 HG22 HD12 ' A' ' 45' ' ' ILE . 3.4 mp -67.7 -44.55 85.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.882 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -51.95 -26.4 10.38 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.425 0.631 . . . . 0.0 109.938 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.453 ' CB ' ' HB3' ' A' ' 38' ' ' HIS . 3.7 m-20 -76.8 -40.41 48.19 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.832 179.43 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.456 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -70.73 -51.12 29.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.258 0.551 . . . . 0.0 110.149 179.54 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.659 HD12 HG22 ' A' ' 41' ' ' ILE . 24.7 mt -58.0 -62.12 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.087 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.5 m80 -73.46 -24.52 60.23 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.722 -1.127 . . . . 0.0 112.125 -178.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 75.81 68.33 0.07 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.97 0.414 . . . . 0.0 111.567 179.484 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.451 ' O ' ' HB3' ' A' ' 43' ' ' ASP . 43.6 p -141.73 116.57 9.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.143 179.17 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 68.3 88.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 -178.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.487 ' HA3' ' CD2' ' A' ' 38' ' ' HIS . . . -143.98 91.08 0.16 Allowed Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.684 -179.602 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.431 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 4.0 tptt -68.63 144.76 54.38 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.914 0.388 . . . . 0.0 111.212 -179.263 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.444 ' HB3' HD23 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -129.55 137.85 50.99 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.497 179.882 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.537 ' HE2' ' CE2' ' A' ' 102' ' ' TRP . 0.5 OUTLIER -121.72 120.64 35.27 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.519 -179.58 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -57.46 133.76 55.48 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.815 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.867 HD13 ' CB ' ' A' ' 122' ' ' GLN . 46.9 mt -98.31 26.8 5.11 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.344 -179.67 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.02 -46.66 12.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.793 0.33 . . . . 0.0 110.983 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -135.12 57.22 1.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.792 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.655 HG22 ' O ' ' A' ' 95' ' ' VAL . 0.6 OUTLIER -110.67 161.8 15.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.937 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.54 151.41 48.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.221 179.359 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.466 ' HA ' ' O ' ' A' ' 93' ' ' LEU . 13.5 p . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.028 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.483 ' CE1' ' CE2' ' A' ' 109' ' ' PHE . 26.0 m-85 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 121.018 0.437 . . . . 0.0 111.442 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.7 mp0 -147.72 129.8 15.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.154 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.617 ' CE2' HD11 ' A' ' 94' ' ' ILE . 7.5 p90 -122.68 152.97 40.02 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.964 0.412 . . . . 0.0 111.396 -179.214 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.466 ' O ' ' HA ' ' A' ' 60' ' ' VAL . 3.2 mp -116.56 145.12 43.58 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.302 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.924 HG21 HD23 ' A' ' 35' ' ' LEU . 6.0 mm -114.44 108.45 25.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.949 179.319 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.882 HG22 HG23 ' A' ' 101' ' ' THR . 52.8 t -97.26 129.27 47.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.155 0.502 . . . . 0.0 112.118 -179.109 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.521 ' HA ' HG22 ' A' ' 58' ' ' THR . 0.2 OUTLIER -92.67 -173.91 3.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.222 179.277 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.7 -18.62 40.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.415 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.0 t -100.26 23.42 10.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.895 0.379 . . . . 0.0 111.261 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 82.85 -20.6 9.15 Favored Glycine 0 CA--C 1.519 0.329 0 C-N-CA 120.591 -0.814 . . . . 0.0 113.278 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -51.88 120.3 5.17 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 117.051 0.425 . . . . 0.0 110.704 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.882 HG23 HG22 ' A' ' 95' ' ' VAL . 1.4 m -120.63 114.62 21.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.017 0.437 . . . . 0.0 111.872 -179.351 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.685 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 38.7 m0 -90.04 105.68 17.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.208 178.794 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.491 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.8 OUTLIER -97.37 116.32 29.36 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.406 -0.518 . . . . 0.0 110.692 179.545 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.839 ' HB3' HD23 ' A' ' 10' ' ' LEU . 18.0 m-85 -123.31 157.85 32.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.286 0.565 . . . . 0.0 111.673 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.474 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -123.44 101.72 7.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.668 178.734 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.618 ' HB3' ' HB3' ' A' ' 112' ' ' ARG . . . -54.56 131.75 43.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.726 -179.209 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -69.32 -32.15 71.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.434 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.04 145.32 38.71 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.511 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.483 ' CE2' ' CE1' ' A' ' 90' ' ' PHE . 7.7 m-30 -66.07 -38.87 89.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.187 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -73.92 -35.23 64.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.069 0.462 . . . . 0.0 110.865 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.43 -41.06 98.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.336 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.618 ' HB3' ' HB3' ' A' ' 106' ' ' ALA . 0.0 OUTLIER -56.59 -35.21 67.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.756 0.313 . . . . 0.0 110.911 -179.613 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -72.7 -48.35 39.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.511 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.466 ' HB1' ' HD3' ' A' ' 6' ' ' LYS . . . -55.68 -46.55 77.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.179 179.421 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.717 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 56.0 m95 -59.88 -55.19 37.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.918 179.058 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 42.0 t -55.57 -34.16 34.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.964 0.411 . . . . 0.0 110.264 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -79.87 -29.89 40.13 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.202 179.177 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.432 ' HB2' HG22 ' A' ' 5' ' ' ILE . . . -69.48 -45.1 69.77 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.237 179.525 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.688 HG13 HD21 ' A' ' 29' ' ' LEU . 2.4 mp -65.5 -48.83 81.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.254 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.623 ' HA ' HD12 ' A' ' 123' ' ' ILE . 0.6 OUTLIER -66.03 -32.76 74.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.91 0.386 . . . . 0.0 110.198 179.095 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 28.0 t -67.11 -45.29 77.64 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.348 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.867 ' CB ' HD13 ' A' ' 55' ' ' LEU . 1.5 mp0 -61.99 -34.36 76.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.138 179.393 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.623 HD12 ' HA ' ' A' ' 120' ' ' GLU . 16.5 mt -73.78 -35.47 43.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.778 179.472 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.75 -34.31 75.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.672 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -75.73 -36.56 59.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.005 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.8 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.409 ' O ' ' HB2' ' A' ' 31' ' ' SER . 20.3 mm . . . . . 0 N--CA 1.456 -0.173 0 CA-C-O 120.636 0.255 . . . . 0.0 110.787 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.57 127.37 25.77 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.357 2.038 . . . . 0.0 112.48 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.518 ' N ' ' O ' ' A' ' 29' ' ' LEU . 16.6 mm -93.89 -17.0 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.493 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.626 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 5.4 tptt 173.32 110.96 0.02 OUTLIER 'General case' 0 C--O 1.217 -0.608 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 179.246 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.981 ' HG2' HG23 ' A' ' 28' ' ' THR . 5.3 mt-30 -125.14 113.73 18.1 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 178.519 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -160.7 -176.81 5.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.03 0.443 . . . . 0.0 111.579 -179.554 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.679 ' CE1' HD11 ' A' ' 41' ' ' ILE . 1.3 m-85 -93.72 123.65 37.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.776 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.848 HD23 ' HB3' ' A' ' 104' ' ' PHE . 8.7 mp -115.15 154.33 29.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.877 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.521 HD23 ' HB2' ' A' ' 22' ' ' TRP . 1.2 tp -91.49 143.88 26.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.234 179.353 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.407 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.0 OUTLIER -136.5 111.97 9.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.833 0.349 . . . . 0.0 111.221 -179.751 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.422 ' HA ' ' HA ' ' A' ' 22' ' ' TRP . 11.5 ptt85 . . . . . 0 C--N 1.331 -0.222 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.105 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.498 ' HD3' ' CZ2' ' A' ' 22' ' ' TRP . 5.5 mttt . . . . . 0 C--O 1.232 0.134 0 CA-C-O 121.065 0.46 . . . . 0.0 111.216 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -158.68 96.3 1.37 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.578 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.521 ' HB2' HD23 ' A' ' 11' ' ' LEU . 2.8 m95 -90.22 136.99 32.71 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.426 -178.806 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -110.5 162.73 14.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.471 179.559 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -68.67 123.17 20.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.029 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.455 ' O ' ' HA ' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -126.84 173.16 9.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.46 179.827 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.444 ' CE1' ' HB2' ' A' ' 44' ' ' TYR . 54.0 t80 -131.8 114.91 15.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.597 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.742 HG21 HD22 ' A' ' 10' ' ' LEU . 1.7 t -115.44 147.8 18.59 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.372 0 CA-C-O 120.808 0.337 . . . . 0.0 111.609 -179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.981 HG23 ' HG2' ' A' ' 7' ' ' GLN . 51.9 m -138.67 110.72 7.28 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.072 178.173 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.729 HD23 ' CZ3' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -90.3 117.12 28.78 Favored 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 177.587 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.6 t -108.98 161.46 15.13 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.961 0.41 . . . . 0.0 111.195 -178.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.409 ' HB2' ' O ' ' A' ' 3' ' ' ILE . 1.8 t -76.56 2.05 15.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.213 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -90.93 25.92 2.26 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-O 120.82 0.343 . . . . 0.0 111.206 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.424 ' HA2' ' HB3' ' A' ' 122' ' ' GLN . . . 53.14 40.4 59.37 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.057 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.419 ' CD1' ' HB3' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -139.23 125.14 19.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.068 0.461 . . . . 0.0 111.656 -179.622 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.84 HD23 HG21 ' A' ' 94' ' ' ILE . 2.0 tp -105.7 116.92 32.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.631 179.046 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.716 HD23 ' HG2' ' A' ' 52' ' ' GLU . 0.4 OUTLIER -112.68 146.56 38.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.918 0.389 . . . . 0.0 111.664 -179.008 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.429 ' CE1' ' HB2' ' A' ' 51' ' ' LYS . 0.5 OUTLIER -148.98 125.97 11.29 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.793 179.212 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.496 ' CD2' ' HA3' ' A' ' 50' ' ' GLY . 0.3 OUTLIER -118.26 162.52 29.59 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 115.399 -0.818 . . . . 0.0 110.695 -179.268 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -50.48 -38.27 53.52 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.547 2.165 . . . . 0.0 112.722 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 59.2 p -164.27 -169.77 1.9 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.871 0.367 . . . . 0.0 111.25 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.679 HD11 ' CE1' ' A' ' 9' ' ' PHE . 3.5 mp -67.12 -44.51 87.96 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.932 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -51.86 -26.38 9.93 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.441 0.639 . . . . 0.0 109.995 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.479 ' HB3' ' O ' ' A' ' 48' ' ' THR . 13.0 m-20 -76.82 -41.92 42.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.739 179.484 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.444 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 0.5 OUTLIER -68.68 -51.21 44.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.249 0.547 . . . . 0.0 110.123 179.464 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.657 HD12 HG22 ' A' ' 41' ' ' ILE . 29.8 mt -58.6 -62.5 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.267 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -73.59 -24.31 60.05 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.809 -1.087 . . . . 0.0 112.324 -178.455 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 76.72 73.82 0.08 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.039 0.447 . . . . 0.0 111.198 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.479 ' O ' ' HB3' ' A' ' 43' ' ' ASP . 50.3 p -145.94 117.91 8.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.113 179.283 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 4.7 m80 64.32 88.35 0.1 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 -178.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.496 ' HA3' ' CD2' ' A' ' 38' ' ' HIS . . . -143.32 90.39 0.17 Allowed Glycine 0 N--CA 1.448 -0.548 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.659 -179.548 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.429 ' HB2' ' CE1' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -68.59 144.48 54.51 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.877 0.37 . . . . 0.0 111.182 -179.238 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.716 ' HG2' HD23 ' A' ' 36' ' ' LEU . 50.6 mt-10 -128.29 133.16 48.69 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.383 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.531 ' CE ' ' CG ' ' A' ' 102' ' ' TRP . 0.5 OUTLIER -116.71 122.62 45.03 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.587 -179.768 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -56.47 132.3 50.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.655 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.764 HD13 ' CB ' ' A' ' 122' ' ' GLN . 13.7 mt -96.04 24.68 5.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.358 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 tt -83.29 -61.46 1.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.238 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.2 ttm180 -117.67 43.76 2.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.182 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.541 HG22 ' O ' ' A' ' 95' ' ' VAL . 0.3 OUTLIER -94.9 162.08 13.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.947 0.403 . . . . 0.0 110.815 179.831 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -131.66 156.72 45.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.627 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.8 m . . . . . 0 C--N 1.326 -0.421 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.633 179.647 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.47 ' CE1' ' CE2' ' A' ' 109' ' ' PHE . 2.7 m-85 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.812 0.339 . . . . 0.0 111.464 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -133.28 130.1 38.49 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.665 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.613 ' CE1' HD11 ' A' ' 94' ' ' ILE . 13.0 p90 -124.26 153.18 42.06 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.71 0.29 . . . . 0.0 110.965 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.503 ' O ' HD13 ' A' ' 94' ' ' ILE . 1.3 mp -115.88 159.56 21.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.071 0.463 . . . . 0.0 111.824 -179.296 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.84 HG21 HD23 ' A' ' 35' ' ' LEU . 11.7 mm -130.26 108.57 16.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.291 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 1.01 HG22 HG23 ' A' ' 101' ' ' THR . 57.7 t -102.1 133.21 46.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.799 0.333 . . . . 0.0 111.785 -179.496 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.502 ' HA ' HG22 ' A' ' 58' ' ' THR . 0.0 OUTLIER -98.85 -174.14 2.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.514 179.33 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 48.2 t -85.29 -3.6 58.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.55 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.6 t -110.56 21.39 16.66 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.827 0.346 . . . . 0.0 111.083 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 81.88 -19.93 8.84 Favored Glycine 0 CA--C 1.52 0.345 0 C-N-CA 120.812 -0.709 . . . . 0.0 113.425 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.83 126.62 26.46 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 117.01 0.405 . . . . 0.0 110.728 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' THR . . . . . 1.01 HG23 HG22 ' A' ' 95' ' ' VAL . 1.4 m -126.07 114.68 18.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.482 -179.662 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.625 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 36.7 m0 -93.42 105.44 17.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.168 179.052 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.513 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.7 OUTLIER -94.63 116.13 28.39 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.514 179.26 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.848 ' HB3' HD23 ' A' ' 10' ' ' LEU . 29.5 m-85 -122.12 164.84 17.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.276 0.56 . . . . 0.0 111.78 -179.699 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.455 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -128.16 103.6 7.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.552 178.784 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.547 ' HB3' ' HB3' ' A' ' 112' ' ' ARG . . . -54.04 123.59 13.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.618 -179.197 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.44 -29.18 67.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.764 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -117.79 150.63 38.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.603 179.612 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.47 ' CE2' ' CE1' ' A' ' 90' ' ' PHE . 8.0 m-30 -66.11 -41.34 90.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -73.79 -32.6 63.83 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.986 0.422 . . . . 0.0 110.542 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.19 -40.53 85.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.458 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.547 ' HB3' ' HB3' ' A' ' 106' ' ' ALA . 0.0 OUTLIER -57.05 -34.13 67.93 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.767 0.318 . . . . 0.0 110.865 -179.731 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.525 ' O ' HG12 ' A' ' 116' ' ' VAL . 0.5 OUTLIER -74.76 -42.56 58.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.806 179.707 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.483 ' HB1' ' HD3' ' A' ' 6' ' ' LYS . . . -61.05 -46.53 90.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.92 0.39 . . . . 0.0 110.037 179.438 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.729 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 59.2 m95 -63.48 -51.79 64.09 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.764 178.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.525 HG12 ' O ' ' A' ' 113' ' ' ASP . 1.1 p -57.63 -32.44 42.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.884 0.373 . . . . 0.0 110.217 179.426 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -82.51 -30.92 29.5 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.196 179.077 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.445 ' HB1' ' CG2' ' A' ' 5' ' ' ILE . . . -67.46 -47.45 70.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.018 179.274 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.684 HG13 HD21 ' A' ' 29' ' ' LEU . 2.4 mp -64.98 -51.15 70.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.481 -0.782 . . . . 0.0 109.635 178.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.627 ' HA ' HD12 ' A' ' 123' ' ' ILE . 6.0 mm-40 -61.53 -32.7 72.77 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.117 179.005 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.4 m -63.96 -49.5 72.3 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.425 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.764 ' CB ' HD13 ' A' ' 55' ' ' LEU . 92.9 mm-40 -62.14 -39.67 93.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.551 179.637 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.627 HD12 ' HA ' ' A' ' 120' ' ' GLU . 14.3 mt -66.53 -41.18 88.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.88 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 17.1 tp -60.7 -36.3 78.46 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.675 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.31 -28.38 56.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.094 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.272 -179.717 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.439 ' O ' ' HB2' ' A' ' 31' ' ' SER . 17.9 mt . . . . . 0 N--CA 1.455 -0.205 0 CA-C-O 120.591 0.234 . . . . 0.0 110.816 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -60.63 124.77 15.72 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.225 1.95 . . . . 0.0 112.391 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.507 ' N ' ' O ' ' A' ' 29' ' ' LEU . 25.7 mm -93.82 -19.82 6.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.4 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.612 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 5.1 tptt 177.72 110.96 0.03 OUTLIER 'General case' 0 C--O 1.218 -0.582 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 179.154 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.647 ' HB2' HG23 ' A' ' 28' ' ' THR . 0.0 OUTLIER -127.86 113.5 16.0 Favored 'General case' 0 C--N 1.313 -0.998 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.469 179.673 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 43.8 p -168.24 -177.15 3.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.616 ' CE1' HD11 ' A' ' 41' ' ' ILE . 3.2 m-85 -84.32 143.02 29.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.024 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.803 HD23 ' HB3' ' A' ' 104' ' ' PHE . 6.1 mp -134.76 155.19 51.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.476 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.492 HD23 ' HB2' ' A' ' 22' ' ' TRP . 1.1 tp -90.94 135.74 33.54 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.045 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.421 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.1 OUTLIER -125.97 112.91 16.47 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.862 0.363 . . . . 0.0 111.306 -179.412 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.844 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.527 0.08 0 CA-C-O 121.092 0.472 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -164.97 97.96 0.74 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.912 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.509 ' CD1' ' N ' ' A' ' 22' ' ' TRP . 2.8 m95 -97.23 136.03 38.32 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.394 -178.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.04 156.57 22.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.674 179.734 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.9 mmtp -64.26 119.12 9.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.116 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.42 ' HG3' ' HB2' ' A' ' 12' ' ' LYS . 35.8 mmtm -119.47 -178.34 3.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.748 179.757 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.48 ' O ' ' HA ' ' A' ' 37' ' ' TYR . 45.4 t80 -135.34 114.73 12.5 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.146 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.677 HG21 HD22 ' A' ' 10' ' ' LEU . 1.6 t -120.03 145.9 25.63 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.376 0 CA-C-O 120.961 0.41 . . . . 0.0 111.999 -179.342 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.652 ' O ' HD12 ' A' ' 36' ' ' LEU . 89.9 m -138.72 110.52 7.17 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.053 177.785 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.734 ' CD2' HD13 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -89.42 116.1 27.35 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 177.809 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.0 t -107.09 158.28 17.19 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.95 0.405 . . . . 0.0 111.289 -178.651 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.439 ' HB2' ' O ' ' A' ' 3' ' ' ILE . 1.1 t -74.76 2.32 10.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.141 179.521 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -90.25 26.05 2.03 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.857 0.361 . . . . 0.0 111.208 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.417 ' HA2' ' HB3' ' A' ' 122' ' ' GLN . . . 53.52 40.75 62.86 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.696 -0.764 . . . . 0.0 111.845 -179.696 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.462 ' N ' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -139.34 123.59 18.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.962 0.41 . . . . 0.0 111.726 -179.427 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.921 HD23 HG21 ' A' ' 94' ' ' ILE . 3.0 tp -103.01 117.09 33.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.542 178.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.652 HD12 ' O ' ' A' ' 28' ' ' THR . 0.4 OUTLIER -113.71 144.67 42.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.105 0.478 . . . . 0.0 111.957 -178.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.48 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.3 OUTLIER -150.83 125.0 9.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.123 179.024 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.539 ' HB3' ' CB ' ' A' ' 43' ' ' ASP . 0.6 OUTLIER -113.65 159.44 35.59 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.115 -179.014 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -49.1 -29.64 16.67 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.759 2.306 . . . . 0.0 113.123 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.87 -170.75 0.33 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.832 0.348 . . . . 0.0 111.409 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.77 HG22 HD12 ' A' ' 45' ' ' ILE . 3.4 mp -64.76 -43.73 96.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.073 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -51.74 -27.83 13.25 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.402 0.62 . . . . 0.0 109.88 179.211 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.774 ' HA ' HG23 ' A' ' 48' ' ' THR . 3.8 m-20 -76.91 -39.6 50.26 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.839 179.426 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -71.53 -51.24 24.62 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.261 0.553 . . . . 0.0 110.054 179.612 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.77 HD12 HG22 ' A' ' 41' ' ' ILE . 19.3 mt -57.31 -61.64 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.901 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.8 m80 -73.44 -24.98 60.31 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.829 -1.078 . . . . 0.0 111.831 -178.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.4 t 74.7 72.04 0.1 Allowed 'General case' 0 C--O 1.232 0.155 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.774 HG23 ' HA ' ' A' ' 43' ' ' ASP . 31.1 p -87.22 -154.43 0.24 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.811 178.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -40.77 -55.85 2.32 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.93 0.395 . . . . 0.0 111.491 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.451 ' HA2' ' CD2' ' A' ' 38' ' ' HIS . . . 59.41 99.74 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.574 179.738 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.445 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . 0.5 OUTLIER -75.3 143.49 42.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.823 0.344 . . . . 0.0 110.938 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.616 ' HG2' HD23 ' A' ' 36' ' ' LEU . 13.2 mt-10 -138.8 133.25 31.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.646 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.545 ' CE ' ' CG ' ' A' ' 102' ' ' TRP . 0.4 OUTLIER -118.69 121.91 41.24 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.61 -179.727 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -57.35 130.45 46.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.454 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.85 HD13 ' CB ' ' A' ' 122' ' ' GLN . 18.8 mt -95.05 28.25 2.86 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.547 -179.424 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.2 -61.59 1.81 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.808 0.337 . . . . 0.0 110.982 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.414 ' NH1' ' CB ' ' A' ' 97' ' ' SER . 19.3 mtm105 -116.61 50.86 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.754 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.659 HG22 ' O ' ' A' ' 95' ' ' VAL . 0.3 OUTLIER -100.28 161.99 13.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.074 -179.871 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.14 170.01 16.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.75 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.848 HG11 HG13 ' A' ' 116' ' ' VAL . 21.9 t . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.659 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.512 ' CE2' ' CD1' ' A' ' 109' ' ' PHE . 8.2 m-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.903 0.382 . . . . 0.0 111.263 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -138.71 129.77 26.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.551 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.615 ' CE2' HD11 ' A' ' 94' ' ' ILE . 11.0 p90 -119.25 149.61 41.48 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.928 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.406 HD23 ' HB2' ' A' ' 103' ' ' HIS . 0.8 OUTLIER -112.32 141.31 46.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.77 -179.259 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.921 HG21 HD23 ' A' ' 35' ' ' LEU . 13.7 mm -111.38 108.58 25.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.191 179.52 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.659 ' O ' HG22 ' A' ' 58' ' ' THR . 99.0 t -96.75 132.6 40.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.961 0.41 . . . . 0.0 111.641 -179.468 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.34 -174.05 2.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.229 179.231 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.414 ' CB ' ' NH1' ' A' ' 57' ' ' ARG . 0.3 OUTLIER -83.52 -20.18 34.36 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.238 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 8.6 t -100.14 23.57 9.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.836 0.35 . . . . 0.0 111.006 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 84.16 -21.82 9.44 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 120.679 -0.772 . . . . 0.0 113.23 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.99 123.94 7.92 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.94 0.37 . . . . 0.0 110.728 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.497 ' HA ' ' O ' ' A' ' 94' ' ' ILE . 23.4 m -125.2 114.78 19.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.837 0.351 . . . . 0.0 111.836 -179.529 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.636 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 38.5 m0 -92.84 105.5 17.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.972 178.772 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.489 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.8 OUTLIER -94.44 116.08 28.38 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.655 179.434 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.803 ' HB3' HD23 ' A' ' 10' ' ' LEU . 17.3 m-85 -123.79 163.87 20.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.22 0.533 . . . . 0.0 111.402 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.441 ' HB3' ' CB ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -126.04 108.82 11.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.863 179.07 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -53.52 122.62 10.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.77 -179.147 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.65 -32.99 74.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.336 179.222 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -116.17 138.93 50.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.373 179.418 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.512 ' CD1' ' CE2' ' A' ' 90' ' ' PHE . 15.5 m-30 -57.32 -36.2 70.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.33 -179.483 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -73.92 -36.02 64.66 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.057 0.456 . . . . 0.0 110.891 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.47 -32.14 73.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.489 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.579 ' O ' HG23 ' A' ' 116' ' ' VAL . 0.3 OUTLIER -56.78 -41.22 77.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.795 0.331 . . . . 0.0 110.816 -179.666 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -74.8 -46.73 34.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.635 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 118' ' ' ALA . . . -54.16 -51.92 62.78 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.475 179.666 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.725 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 55.4 m95 -59.17 -52.63 64.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.985 179.079 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.848 HG13 HG11 ' A' ' 60' ' ' VAL . 67.6 t -57.58 -33.8 45.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 CA-C-O 120.869 0.366 . . . . 0.0 110.32 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.412 ' O ' ' CB ' ' A' ' 121' ' ' SER . 0.0 OUTLIER -80.87 -28.26 36.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.31 179.002 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 114' ' ' ALA . . . -70.97 -43.84 67.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.311 179.545 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.708 HG13 HD21 ' A' ' 29' ' ' LEU . 2.4 mp -67.32 -48.73 76.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.072 179.324 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.678 ' O ' HD12 ' A' ' 124' ' ' LEU . 4.2 mt-10 -65.67 -32.79 74.55 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.913 0.387 . . . . 0.0 110.111 179.141 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.412 ' CB ' ' O ' ' A' ' 117' ' ' GLN . 12.9 t -66.36 -45.37 80.36 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.508 179.442 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.85 ' CB ' HD13 ' A' ' 55' ' ' LEU . 56.7 mm-40 -63.12 -33.97 76.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.412 179.609 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.596 HD12 ' HA ' ' A' ' 120' ' ' GLU . 24.9 mt -72.24 -37.23 58.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.921 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.678 HD12 ' O ' ' A' ' 120' ' ' GLU . 0.2 OUTLIER -66.68 -35.68 80.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.58 179.574 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.44 -30.66 57.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.91 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.077 -179.94 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.6 mm . . . . . 0 N--CA 1.455 -0.189 0 CA-C-O 120.515 0.198 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -59.81 128.01 25.42 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.424 2.082 . . . . 0.0 112.469 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.441 HG22 ' HB2' ' A' ' 118' ' ' ALA . 24.8 mm -92.88 -20.13 6.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.045 179.642 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.601 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 0.2 OUTLIER 176.99 110.56 0.02 OUTLIER 'General case' 0 C--O 1.216 -0.687 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.124 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.789 ' HB3' HG23 ' A' ' 28' ' ' THR . 2.9 pt20 -130.73 109.51 10.66 Favored 'General case' 0 C--N 1.312 -1.055 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.433 179.379 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -164.59 -175.19 3.74 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.2 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.594 ' CE1' HD11 ' A' ' 41' ' ' ILE . 5.1 m-85 -81.78 132.74 35.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.117 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.796 HD23 ' HB3' ' A' ' 104' ' ' PHE . 4.5 mp -126.43 151.88 47.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.357 179.628 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.526 HD23 ' HB2' ' A' ' 22' ' ' TRP . 1.0 OUTLIER -90.28 137.36 32.41 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 179.087 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.415 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.2 OUTLIER -126.09 126.53 44.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.914 0.388 . . . . 0.0 111.218 -179.504 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.458 ' NE ' ' CD2' ' A' ' 103' ' ' HIS . 15.3 mtt180 . . . . . 0 C--N 1.332 -0.162 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.088 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.409 ' HD2' ' CD ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER . . . . . 0 CA--C 1.528 0.107 0 CA-C-O 121.111 0.481 . . . . 0.0 111.186 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -157.62 97.02 1.56 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.494 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.549 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 3.7 m95 -88.83 136.82 32.81 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.448 -178.592 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.29 160.42 16.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.589 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.98 117.86 8.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.09 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.458 ' HE3' ' HA ' ' A' ' 39' ' ' PRO . 0.3 OUTLIER -119.73 176.54 5.34 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.559 179.712 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.469 ' CE1' ' CG ' ' A' ' 44' ' ' TYR . 45.7 t80 -135.72 115.1 12.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.571 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.62 HG23 ' HB2' ' A' ' 10' ' ' LEU . 1.9 t -123.07 148.15 27.05 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.304 0 CA-C-O 120.947 0.403 . . . . 0.0 111.936 -179.285 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.789 HG23 ' HB3' ' A' ' 7' ' ' GLN . 95.9 m -138.89 110.57 7.11 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.06 177.835 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.689 HD21 HG13 ' A' ' 119' ' ' ILE . 0.2 OUTLIER -89.12 116.09 27.13 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 178.051 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.5 t -105.03 161.06 14.55 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.068 0.461 . . . . 0.0 111.392 -178.64 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.8 t -77.16 1.28 18.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.175 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -89.74 26.17 1.85 Allowed 'General case' 0 CA--C 1.522 -0.131 0 CA-C-O 120.814 0.34 . . . . 0.0 111.258 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 53.94 40.42 65.31 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.633 -0.794 . . . . 0.0 111.589 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.425 ' N ' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -138.2 128.68 26.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.966 0.412 . . . . 0.0 111.443 -179.454 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.972 HD23 HG21 ' A' ' 94' ' ' ILE . 2.3 tp -107.86 117.19 33.47 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.491 179.247 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.557 HD12 ' O ' ' A' ' 28' ' ' THR . 0.7 OUTLIER -112.39 143.8 42.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.039 0.447 . . . . 0.0 112.038 -178.892 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.433 ' CD2' ' HB3' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -148.93 130.06 14.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.415 179.382 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.487 ' CD2' ' HA2' ' A' ' 50' ' ' GLY . 0.2 OUTLIER -119.81 156.55 53.94 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.816 -179.479 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.458 ' HA ' ' HE3' ' A' ' 25' ' ' LYS . 59.5 Cg_exo -51.52 -28.91 29.97 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.776 2.317 . . . . 0.0 112.599 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.49 -174.68 1.22 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.841 0.353 . . . . 0.0 111.111 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.784 HG22 HD12 ' A' ' 45' ' ' ILE . 3.4 mp -63.96 -44.35 97.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.886 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 43.2 m-20 -51.89 -29.38 19.64 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.309 0.576 . . . . 0.0 110.104 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.437 ' CB ' ' HB3' ' A' ' 38' ' ' HIS . 1.7 m-20 -76.9 -38.56 53.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.837 179.476 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.469 ' CG ' ' CE1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -70.45 -51.35 29.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.233 0.539 . . . . 0.0 110.168 179.479 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.784 HD12 HG22 ' A' ' 41' ' ' ILE . 23.2 mt -59.55 -62.48 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.233 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.5 m80 -73.32 -24.75 60.42 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.74 -1.118 . . . . 0.0 112.292 -178.506 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.43 ' HA ' ' O ' ' A' ' 43' ' ' ASP . 1.4 m 76.61 73.03 0.07 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.827 0.346 . . . . 0.0 111.244 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 47.1 p -119.21 116.97 27.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 76.98 -59.74 0.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.459 -179.689 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.487 ' HA2' ' CD2' ' A' ' 38' ' ' HIS . . . 45.81 89.4 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.24 0 CA-C-N 115.564 -0.744 . . . . 0.0 113.159 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.446 ' HG2' ' CZ2' ' A' ' 102' ' ' TRP . 0.1 OUTLIER -78.9 141.24 37.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.761 0.315 . . . . 0.0 110.565 179.738 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -141.31 134.72 29.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.045 0.45 . . . . 0.0 110.931 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.561 ' CE ' ' CG ' ' A' ' 102' ' ' TRP . 0.9 OUTLIER -121.95 122.5 39.51 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.437 -179.868 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.485 ' O ' HG23 ' A' ' 58' ' ' THR . 13.5 p-10 -58.07 128.01 34.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.48 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.739 HD13 ' CB ' ' A' ' 122' ' ' GLN . 7.9 mt -91.54 20.22 5.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.797 -179.421 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -83.19 -61.64 1.8 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.784 0.326 . . . . 0.0 110.767 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.1 ttm-85 -109.86 52.56 0.72 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.664 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.615 HG22 ' O ' ' A' ' 95' ' ' VAL . 0.6 OUTLIER -106.59 162.05 14.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.174 -179.836 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.24 172.42 12.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.573 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.43 HG21 ' HG3' ' A' ' 120' ' ' GLU . 21.1 t . . . . . 0 C--N 1.327 -0.407 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.034 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.512 ' CG ' ' HG3' ' A' ' 112' ' ' ARG . 16.2 m-85 . . . . . 0 CA--C 1.527 0.085 0 CA-C-O 121.061 0.458 . . . . 0.0 111.798 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -128.11 129.87 47.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.554 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.684 ' CE2' HD11 ' A' ' 94' ' ' ILE . 5.0 p90 -130.33 151.86 50.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.95 0.405 . . . . 0.0 111.689 -179.065 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.447 ' HG ' ' CG ' ' A' ' 103' ' ' HIS . 0.6 OUTLIER -115.63 145.73 42.44 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.025 -179.862 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.972 HG21 HD23 ' A' ' 35' ' ' LEU . 11.7 mm -116.64 108.32 24.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.267 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.64 HG22 HG23 ' A' ' 101' ' ' THR . 84.8 t -97.0 131.88 42.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.873 0.368 . . . . 0.0 111.601 -179.706 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.4 -174.14 3.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.283 179.259 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 15.7 p -84.04 -17.3 40.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.274 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.2 t -101.89 23.39 11.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.939 0.4 . . . . 0.0 111.173 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 84.5 -21.76 10.13 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 120.799 -0.715 . . . . 0.0 113.329 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.07 128.47 16.29 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.93 0.365 . . . . 0.0 110.827 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.64 HG23 HG22 ' A' ' 95' ' ' VAL . 2.5 m -128.6 114.64 16.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.018 0.437 . . . . 0.0 111.888 -179.42 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.692 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 38.4 m0 -94.57 105.42 17.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.259 178.802 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.549 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.8 OUTLIER -96.84 116.16 28.68 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.302 179.069 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.796 ' HB3' HD23 ' A' ' 10' ' ' LEU . 17.5 m-85 -123.34 154.92 38.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.289 0.566 . . . . 0.0 111.906 -179.728 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.485 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 26.7 tt0 -121.81 93.53 4.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.303 178.31 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.631 ' HB3' ' HB3' ' A' ' 112' ' ' ARG . . . -40.6 162.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.408 -179.021 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -100.83 -51.86 3.45 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.598 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.444 ' O ' ' CD ' ' A' ' 112' ' ' ARG . 0.8 OUTLIER -98.06 133.08 43.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.888 -179.817 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.506 ' HA ' ' CG ' ' A' ' 112' ' ' ARG . 5.5 m-30 -50.27 -34.67 24.13 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.14 -179.542 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -74.13 -32.69 63.27 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.003 0.43 . . . . 0.0 110.08 178.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.6 -39.6 64.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.722 -179.573 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.631 ' HB3' ' HB3' ' A' ' 106' ' ' ALA . 0.0 OUTLIER -56.04 -44.19 78.57 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.472 -179.427 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -71.88 -41.03 68.5 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.527 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.546 ' HB1' ' HD3' ' A' ' 6' ' ' LYS . . . -58.27 -48.31 80.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.47 179.436 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.688 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 57.2 m95 -57.85 -53.69 55.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.972 179.331 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 74.4 t -55.61 -35.78 39.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-O 120.857 0.36 . . . . 0.0 110.181 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -79.51 -28.44 41.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.496 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.441 ' HB2' HG22 ' A' ' 5' ' ' ILE . . . -69.32 -46.63 66.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.398 179.564 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.689 HG13 HD21 ' A' ' 29' ' ' LEU . 2.9 mp -66.0 -47.66 84.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.121 179.338 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.43 ' HG3' HG21 ' A' ' 60' ' ' VAL . 37.7 mt-10 -65.69 -32.8 74.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.884 0.374 . . . . 0.0 110.177 179.226 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.1 m -68.2 -46.17 71.36 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.508 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.739 ' CB ' HD13 ' A' ' 55' ' ' LEU . 68.9 mm-40 -62.59 -34.96 78.04 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.397 179.565 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.411 ' HA ' ' O ' ' A' ' 55' ' ' LEU . 39.2 mt -73.95 -36.52 45.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.68 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 2.8 mp -68.64 -34.45 75.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.581 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.41 -33.23 58.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.006 179.935 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.479 ' N ' ' HG ' ' A' ' 31' ' ' SER . 10.8 mm . . . . . 0 N--CA 1.456 -0.155 0 CA-C-O 120.575 0.226 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 21.5 Cg_exo -64.62 127.54 19.08 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.39 2.06 . . . . 0.0 112.4 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.505 ' N ' ' O ' ' A' ' 29' ' ' LEU . 27.5 mm -91.69 -19.68 6.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.135 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.618 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 4.0 tptt 176.54 110.73 0.02 OUTLIER 'General case' 0 C--O 1.216 -0.676 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.212 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.686 ' HB3' HG23 ' A' ' 28' ' ' THR . 19.5 pt20 -129.88 112.7 13.81 Favored 'General case' 0 C--N 1.313 -1.019 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.597 179.471 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.4 p -166.94 -175.17 2.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.153 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.656 ' CE1' HD11 ' A' ' 41' ' ' ILE . 3.2 m-85 -83.28 140.13 32.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.059 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.842 HD23 ' HB3' ' A' ' 104' ' ' PHE . 6.5 mp -132.99 158.05 43.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.485 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.475 HD23 ' HB2' ' A' ' 22' ' ' TRP . 1.1 mp -93.96 135.01 35.75 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.15 179.31 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.464 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.1 OUTLIER -124.09 120.57 32.77 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.974 0.416 . . . . 0.0 111.343 -179.493 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.482 ' HG2' ' CE2' ' A' ' 22' ' ' TRP . 7.8 mtp-105 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.14 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.463 ' HD2' ' HG2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 121.073 0.463 . . . . 0.0 111.12 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -162.88 98.16 0.96 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.81 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.529 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 3.3 m95 -95.69 142.24 28.22 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.386 -178.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -117.15 156.04 28.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.564 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.48 123.63 19.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.026 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -125.25 -177.05 3.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.664 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.507 ' CE1' ' CG ' ' A' ' 44' ' ' TYR . 52.7 t80 -137.84 114.95 10.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.132 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.713 HG21 HD22 ' A' ' 10' ' ' LEU . 1.6 t -120.9 146.34 25.99 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.295 0 CA-C-O 120.945 0.402 . . . . 0.0 111.845 -179.213 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.686 HG23 ' HB3' ' A' ' 7' ' ' GLN . 95.7 m -138.77 110.84 7.3 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.028 177.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.85 ' CD2' HD13 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -89.25 115.69 26.93 Favored 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 177.906 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.6 t -105.43 161.19 14.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.06 0.457 . . . . 0.0 111.484 -178.524 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.479 ' HG ' ' N ' ' A' ' 3' ' ' ILE . 10.7 p -76.69 1.86 15.87 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.212 179.549 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 32.2 p30 -89.56 26.11 1.81 Allowed 'General case' 0 CA--C 1.521 -0.145 0 CA-C-O 120.759 0.314 . . . . 0.0 111.375 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.43 ' HA2' ' HB3' ' A' ' 122' ' ' GLN . . . 53.13 39.61 58.12 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.533 -0.842 . . . . 0.0 111.804 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.524 ' N ' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -138.73 123.61 18.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.973 0.416 . . . . 0.0 111.518 -179.431 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.896 HD23 HG21 ' A' ' 94' ' ' ILE . 3.7 tp -100.0 116.88 33.07 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 178.747 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.482 HD23 ' HB3' ' A' ' 52' ' ' GLU . 0.4 OUTLIER -113.31 149.27 34.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.045 0.45 . . . . 0.0 111.853 -178.866 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.447 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -158.24 130.61 7.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.277 179.247 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.497 ' CD2' ' HA2' ' A' ' 50' ' ' GLY . 0.1 OUTLIER -118.83 160.32 40.99 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.781 -179.465 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -50.56 -33.56 39.39 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.585 2.19 . . . . 0.0 112.394 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.3 t -167.09 -175.45 2.99 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.843 HG22 HD12 ' A' ' 45' ' ' ILE . 3.4 mp -63.16 -44.13 99.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.859 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -51.9 -28.98 18.1 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.31 0.576 . . . . 0.0 110.127 179.304 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.427 ' CB ' ' HB3' ' A' ' 38' ' ' HIS . 1.7 m-20 -76.87 -38.59 53.39 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.822 179.506 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.507 ' CG ' ' CE1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -70.76 -51.19 28.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.254 0.55 . . . . 0.0 110.208 179.612 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.843 HD12 HG22 ' A' ' 41' ' ' ILE . 20.4 mt -59.84 -61.94 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.192 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.403 ' O ' ' HB2' ' A' ' 47' ' ' SER . 8.5 m80 -73.53 -24.43 60.14 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.773 -1.103 . . . . 0.0 112.27 -178.566 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.422 ' HA ' ' O ' ' A' ' 43' ' ' ASP . 9.9 m 77.25 74.3 0.07 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.924 0.392 . . . . 0.0 111.325 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 31.9 p -123.43 120.58 33.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 179.572 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 77.63 -60.77 0.42 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.512 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.497 ' HA2' ' CD2' ' A' ' 38' ' ' HIS . . . 44.09 88.47 0.01 OUTLIER Glycine 0 CA--C 1.517 0.203 0 CA-C-N 115.49 -0.777 . . . . 0.0 113.277 179.587 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.438 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . 13.4 mmtt -84.45 129.37 34.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.736 0.303 . . . . 0.0 110.656 179.618 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.482 ' HB3' HD23 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -131.03 137.67 49.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.167 0.508 . . . . 0.0 111.146 -179.749 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.545 ' CE ' ' CG ' ' A' ' 102' ' ' TRP . 0.3 OUTLIER -121.99 122.07 38.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.365 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.48 130.67 43.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.585 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.745 HD13 ' CB ' ' A' ' 122' ' ' GLN . 14.0 mt -95.56 25.83 4.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.495 -179.555 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.19 -61.73 1.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.785 0.326 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.08 52.09 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.625 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.599 HG22 ' O ' ' A' ' 95' ' ' VAL . 0.5 OUTLIER -102.25 161.95 13.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.047 -179.877 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.07 167.29 18.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.444 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.6 m . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.032 179.97 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.502 ' CD1' ' CD1' ' A' ' 109' ' ' PHE . 3.9 m-85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.885 0.374 . . . . 0.0 111.291 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -140.95 129.87 23.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.362 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.617 ' CE1' HD11 ' A' ' 94' ' ' ILE . 30.3 p90 -123.64 159.26 29.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.859 0.361 . . . . 0.0 111.169 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.412 HD23 ' HB2' ' A' ' 103' ' ' HIS . 0.6 OUTLIER -120.35 149.63 42.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.194 -179.719 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.896 HG21 HD23 ' A' ' 35' ' ' LEU . 10.5 mm -122.24 108.45 21.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.347 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.78 HG22 HG23 ' A' ' 101' ' ' THR . 62.6 t -100.32 132.43 45.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.974 0.416 . . . . 0.0 111.79 -179.443 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.471 ' HA ' HG22 ' A' ' 58' ' ' THR . 0.2 OUTLIER -95.81 -174.08 3.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.255 179.243 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 52.7 p -88.37 -0.08 56.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.595 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.5 t -114.71 22.84 13.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.931 0.396 . . . . 0.0 110.951 179.482 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 83.87 -21.65 9.24 Favored Glycine 0 CA--C 1.52 0.358 0 C-N-CA 120.704 -0.76 . . . . 0.0 113.25 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -54.09 133.44 43.91 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.93 0.365 . . . . 0.0 110.747 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.78 HG23 HG22 ' A' ' 95' ' ' VAL . 2.8 m -133.5 114.75 13.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.993 0.425 . . . . 0.0 111.66 -179.618 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.642 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 36.7 m0 -93.8 105.53 17.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.161 178.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.529 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.7 OUTLIER -96.22 115.92 28.19 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.415 -0.514 . . . . 0.0 110.198 179.062 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.842 ' HB3' HD23 ' A' ' 10' ' ' LEU . 18.2 m-85 -121.64 163.1 19.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.258 0.551 . . . . 0.0 111.737 -179.717 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.436 ' HB3' ' CB ' ' A' ' 11' ' ' LEU . 37.8 tt0 -130.26 101.98 6.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.631 178.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.646 ' HB3' ' HB2' ' A' ' 112' ' ' ARG . . . -53.35 132.0 38.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.743 -179.139 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -67.84 -32.38 72.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.461 179.454 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.2 m -112.12 146.89 37.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.465 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.502 ' CD1' ' CD1' ' A' ' 90' ' ' PHE . 13.5 m-85 -66.04 -36.52 83.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.205 -179.65 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -73.63 -40.99 63.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.067 0.46 . . . . 0.0 110.749 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.14 -38.37 79.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.075 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.646 ' HB2' ' HB3' ' A' ' 106' ' ' ALA . 0.0 OUTLIER -56.55 -47.77 78.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.977 -179.708 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.53 ' O ' HG12 ' A' ' 116' ' ' VAL . 0.7 OUTLIER -66.55 -33.17 75.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.617 179.869 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.485 ' HB1' ' HD3' ' A' ' 6' ' ' LYS . . . -67.67 -46.83 71.24 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 179.246 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.702 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 60.1 m95 -60.79 -49.72 76.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.947 179.163 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.53 HG12 ' O ' ' A' ' 113' ' ' ASP . 1.0 OUTLIER -57.57 -34.65 47.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.96 0.41 . . . . 0.0 110.358 179.668 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.406 ' O ' ' CB ' ' A' ' 121' ' ' SER . 34.6 tt0 -80.52 -31.45 37.09 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.172 179.178 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.452 ' HB2' HG22 ' A' ' 5' ' ' ILE . . . -66.12 -48.09 72.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.473 179.497 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.701 HG13 HD21 ' A' ' 29' ' ' LEU . 2.7 mp -65.33 -48.84 81.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.987 179.245 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.48 ' HA ' HD12 ' A' ' 123' ' ' ILE . 7.2 mm-40 -64.74 -32.78 74.62 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.212 179.25 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.406 ' CB ' ' O ' ' A' ' 117' ' ' GLN . 4.8 m -66.48 -44.9 81.4 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.384 179.541 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.745 ' CB ' HD13 ' A' ' 55' ' ' LEU . 71.6 mm-40 -65.1 -35.65 81.81 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.447 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.48 HD12 ' HA ' ' A' ' 120' ' ' GLU . 18.8 mt -72.49 -34.95 49.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.963 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.6 -36.29 78.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.516 179.61 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.51 -29.94 57.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.991 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.113 -179.952 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.639 ' N ' ' HG ' ' A' ' 31' ' ' SER . 1.8 mp . . . . . 0 N--CA 1.455 -0.181 0 CA-C-O 120.363 0.125 . . . . 0.0 111.098 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 12.4 Cg_exo -69.72 127.11 14.16 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.468 2.112 . . . . 0.0 112.305 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.539 ' N ' HD12 ' A' ' 5' ' ' ILE . 1.4 mp -90.93 -20.46 6.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.703 179.447 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.607 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 0.8 OUTLIER -176.54 110.59 0.09 Allowed 'General case' 0 C--O 1.216 -0.661 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 179.087 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.771 ' HB2' HG23 ' A' ' 28' ' ' THR . 8.7 tt0 -129.07 109.4 11.16 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-O 120.793 0.33 . . . . 0.0 110.305 179.366 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.7 -175.12 3.67 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.082 -179.679 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.521 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.5 OUTLIER -85.17 141.45 30.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.959 -179.829 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.832 HD23 ' HB3' ' A' ' 104' ' ' PHE . 8.5 mp -132.65 158.02 43.34 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.451 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.494 HD23 ' HB2' ' A' ' 22' ' ' TRP . 1.2 tp -90.81 135.23 33.86 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 179.27 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.436 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.1 OUTLIER -123.66 109.86 14.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.229 -179.423 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.441 ' HB3' ' CE2' ' A' ' 22' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.97 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.483 ' HD3' ' CZ2' ' A' ' 22' ' ' TRP . 34.1 mttt . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 121.154 0.502 . . . . 0.0 111.205 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -162.34 97.71 1.01 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.713 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.583 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 3.2 m95 -93.15 131.87 37.82 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.394 -178.831 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.6 mtpp -110.29 155.72 21.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.433 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.2 mmtp -63.15 120.53 11.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.918 0.389 . . . . 0.0 110.781 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -125.52 -177.2 3.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.681 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.478 ' O ' ' HA ' ' A' ' 37' ' ' TYR . 43.0 t80 -133.73 131.67 39.68 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.359 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.727 HG21 HD22 ' A' ' 10' ' ' LEU . 1.4 t -136.56 146.59 28.5 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.277 0 CA-C-O 120.918 0.39 . . . . 0.0 111.639 -179.53 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.771 HG23 ' HB2' ' A' ' 7' ' ' GLN . 85.1 m -138.82 110.85 7.28 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.434 178.061 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.716 HD23 ' CZ3' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -89.32 115.08 26.53 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 177.495 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.465 ' C ' HD13 ' A' ' 5' ' ' ILE . 30.8 t -104.67 165.02 11.34 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.159 0.504 . . . . 0.0 111.654 -178.123 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.639 ' HG ' ' N ' ' A' ' 3' ' ' ILE . 22.0 p -79.84 1.06 28.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.097 179.654 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -89.68 26.07 1.86 Allowed 'General case' 0 CA--C 1.521 -0.151 0 CA-C-O 120.729 0.3 . . . . 0.0 111.315 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 53.29 39.43 58.82 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.562 -0.827 . . . . 0.0 111.389 -179.502 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.456 ' N ' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -139.16 137.31 35.96 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 121.057 0.456 . . . . 0.0 111.396 -179.402 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.79 HD23 HG21 ' A' ' 94' ' ' ILE . 1.1 tp -117.19 117.29 29.17 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.884 179.203 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.861 HD23 ' HG2' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -114.26 152.49 31.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.096 -179.516 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.478 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -156.2 131.41 9.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.215 0.531 . . . . 0.0 111.099 179.348 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.46 ' CD2' ' HA3' ' A' ' 50' ' ' GLY . 0.7 OUTLIER -115.23 161.54 29.12 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.831 -179.528 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_exo -55.89 -38.02 95.12 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.603 2.202 . . . . 0.0 112.582 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.2 m -155.37 -175.57 5.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 0.0 111.196 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.765 HG22 HD12 ' A' ' 45' ' ' ILE . 3.4 mp -67.81 -43.6 86.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -51.86 -26.45 10.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.353 0.597 . . . . 0.0 110.121 179.175 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.467 ' HB3' ' O ' ' A' ' 48' ' ' THR . 68.9 m-20 -76.73 -40.41 48.65 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.753 179.552 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -70.96 -51.09 27.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.23 0.538 . . . . 0.0 110.09 179.582 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.765 HD12 HG22 ' A' ' 41' ' ' ILE . 18.6 mt -58.08 -62.07 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.081 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.3 m80 -73.5 -24.43 60.18 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 114.77 -1.105 . . . . 0.0 112.016 -178.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.9 t 77.08 72.51 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.004 0.431 . . . . 0.0 111.097 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.467 ' O ' ' HB3' ' A' ' 43' ' ' ASP . 43.8 p -147.27 117.28 7.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.045 179.41 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 67.52 88.21 0.11 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.846 -178.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.46 ' HA3' ' CD2' ' A' ' 38' ' ' HIS . . . -145.02 91.39 0.16 Allowed Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 111.499 -0.64 . . . . 0.0 111.499 -179.681 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 36' ' ' LEU . 3.4 tttm -68.29 142.8 55.45 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.876 0.37 . . . . 0.0 111.378 -179.237 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.861 ' HG2' HD23 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -131.74 162.27 30.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.308 179.77 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.658 ' HE3' ' CE2' ' A' ' 102' ' ' TRP . 5.7 ptp -147.02 153.18 39.72 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.049 0.452 . . . . 0.0 111.544 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.408 ' O ' HG23 ' A' ' 58' ' ' THR . 1.0 OUTLIER -81.66 126.81 32.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.811 -0.632 . . . . 0.0 109.5 178.908 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.801 HD13 ' CB ' ' A' ' 122' ' ' GLN . 3.5 mt -90.08 22.64 3.15 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -178.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.1 tt -83.24 -61.62 1.8 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.809 0.338 . . . . 0.0 110.721 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.2 mtm180 -108.82 51.85 0.73 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.497 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.6 HG22 ' O ' ' A' ' 95' ' ' VAL . 0.3 OUTLIER -103.1 161.91 13.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.008 -179.722 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.78 166.83 22.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.508 179.634 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.5 m . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.902 179.901 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.597 ' CD1' ' N ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.776 0.322 . . . . 0.0 110.926 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -146.61 131.6 18.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.637 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.652 ' CE2' HD11 ' A' ' 94' ' ' ILE . 4.6 p90 -130.14 142.85 50.55 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.822 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.485 HD21 ' HB2' ' A' ' 103' ' ' HIS . 1.2 mt -105.1 150.31 25.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.067 -179.562 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.79 HG21 HD23 ' A' ' 35' ' ' LEU . 7.7 mm -125.17 112.44 31.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.958 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.715 HG22 HG23 ' A' ' 101' ' ' THR . 84.8 t -103.95 129.29 56.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.906 0.384 . . . . 0.0 111.473 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.492 ' HA ' HG22 ' A' ' 58' ' ' THR . 86.2 p -93.96 -174.13 3.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.519 179.555 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 6.8 p -80.21 -21.66 42.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.158 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.2 t -97.91 24.21 7.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.93 0.395 . . . . 0.0 111.241 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 76.89 -8.11 31.32 Favored Glycine 0 CA--C 1.52 0.404 0 C-N-CA 120.785 -0.721 . . . . 0.0 113.604 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -58.55 118.62 5.82 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 117.316 0.558 . . . . 0.0 110.437 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.715 HG23 HG22 ' A' ' 95' ' ' VAL . 1.2 m -115.41 114.81 25.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.988 0.423 . . . . 0.0 111.751 -179.427 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.658 ' CE2' ' HE3' ' A' ' 53' ' ' MET . 33.3 m0 -101.0 105.58 16.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.581 179.165 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.583 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.9 OUTLIER -93.8 116.14 28.6 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.105 178.949 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.832 ' HB3' HD23 ' A' ' 10' ' ' LEU . 20.0 m-85 -122.44 158.89 28.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.423 0.63 . . . . 0.0 111.895 -179.563 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.446 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 23.3 tt0 -127.5 104.78 8.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.135 -0.938 . . . . 0.0 109.57 178.765 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.666 ' HB3' ' HB3' ' A' ' 112' ' ' ARG . . . -52.07 129.96 28.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.795 -179.101 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -68.85 -35.93 77.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.364 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.47 147.76 32.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.345 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.548 ' CE1' ' CD1' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -65.8 -34.18 77.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.203 -179.613 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 16.4 tm-20 -74.05 -32.71 63.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.065 0.46 . . . . 0.0 110.763 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.45 -35.45 73.34 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.765 -179.365 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.712 ' O ' HG23 ' A' ' 116' ' ' VAL . 5.4 ppt_? -56.61 -40.06 74.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.707 0.289 . . . . 0.0 110.825 -179.504 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.85 -48.61 24.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.571 179.361 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.407 ' O ' ' N ' ' A' ' 118' ' ' ALA . . . -52.6 -52.27 56.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.432 179.538 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.716 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 55.6 m95 -57.26 -53.28 59.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.959 179.175 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 112' ' ' ARG . 78.8 t -54.93 -34.45 31.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 CA-C-O 121.012 0.435 . . . . 0.0 110.122 179.454 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.4 ' O ' ' CB ' ' A' ' 121' ' ' SER . 0.9 OUTLIER -79.82 -29.27 40.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.206 178.938 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.496 ' HB2' HG22 ' A' ' 5' ' ' ILE . . . -67.82 -47.25 69.59 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-O 121.08 0.467 . . . . 0.0 110.431 179.595 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.677 HG13 HD21 ' A' ' 29' ' ' LEU . 3.3 mp -65.88 -48.54 81.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.018 179.303 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.754 ' HA ' HD12 ' A' ' 123' ' ' ILE . 3.0 mm-40 -65.43 -32.86 74.71 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.61 179.369 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 117' ' ' GLN . 58.2 p -69.15 -41.55 77.12 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.426 179.663 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.801 ' CB ' HD13 ' A' ' 55' ' ' LEU . 66.8 mm-40 -66.08 -31.07 71.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.267 179.422 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.754 HD12 ' HA ' ' A' ' 120' ' ' GLU . 17.8 mt -73.21 -38.29 54.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.931 179.706 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.401 HD23 ' O ' ' A' ' 124' ' ' LEU . 9.6 tt -68.69 -35.62 77.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.747 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.37 -30.52 57.6 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.947 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.928 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.441 ' CG2' ' HD2' ' A' ' 4' ' ' PRO . 1.8 mt . . . . . 0 N--CA 1.455 -0.2 0 CA-C-O 120.515 0.198 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.441 ' HD2' ' CG2' ' A' ' 3' ' ' ILE . 18.0 Cg_endo -59.93 127.09 22.17 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.355 2.036 . . . . 0.0 112.376 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.438 HG22 ' HB2' ' A' ' 118' ' ' ALA . 47.2 mm -91.97 -20.27 6.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.13 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.619 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 0.0 OUTLIER 179.93 110.5 0.04 OUTLIER 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 179.278 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.791 ' HB3' HG23 ' A' ' 28' ' ' THR . 12.4 pt20 -129.47 109.74 11.3 Favored 'General case' 0 C--N 1.311 -1.095 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.624 179.454 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.83 -175.12 3.63 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.268 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.571 ' O ' HD12 ' A' ' 10' ' ' LEU . 2.0 m-85 -83.62 140.96 31.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.082 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 1.094 HD22 HG21 ' A' ' 27' ' ' VAL . 10.8 mp -131.5 156.31 45.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.514 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.674 HD22 ' OE1' ' A' ' 105' ' ' GLU . 1.2 tp -94.02 142.08 27.79 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 179.069 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.408 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.1 OUTLIER -134.6 111.11 9.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.906 0.384 . . . . 0.0 111.301 -179.631 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 . . . . . 0 C--N 1.331 -0.222 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.073 179.802 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.444 ' HD3' ' CZ2' ' A' ' 22' ' ' TRP . 4.0 mttt . . . . . 0 C--O 1.231 0.087 0 CA-C-O 121.017 0.437 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -164.64 98.18 0.78 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.958 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.539 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 3.9 m95 -94.27 138.74 31.92 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.373 -179.002 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.5 152.32 27.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.492 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.28 124.61 21.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.943 0.402 . . . . 0.0 110.944 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -124.92 -177.02 3.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.689 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.5 ' CZ ' ' CD2' ' A' ' 44' ' ' TYR . 50.0 t80 -138.22 114.99 10.67 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.301 -179.667 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 1.094 HG21 HD22 ' A' ' 10' ' ' LEU . 1.9 t -121.73 146.81 26.24 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.319 0 CA-C-O 121.038 0.447 . . . . 0.0 111.908 -179.382 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.791 HG23 ' HB3' ' A' ' 7' ' ' GLN . 90.5 m -138.75 111.03 7.4 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.883 177.711 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.748 ' CD2' HD13 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -89.34 117.45 28.3 Favored 'General case' 0 N--CA 1.445 -0.698 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 177.945 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.1 t -106.35 162.01 14.06 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.011 0.434 . . . . 0.0 111.303 -178.661 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.6 t -76.66 2.52 13.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.248 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 35.1 t-20 -91.06 26.04 2.27 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-O 120.826 0.346 . . . . 0.0 111.209 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.404 ' C ' HD12 ' A' ' 55' ' ' LEU . . . 52.42 41.85 56.1 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.476 -0.869 . . . . 0.0 111.633 -179.539 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.582 ' N ' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -139.18 123.62 18.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.02 0.438 . . . . 0.0 111.479 -179.352 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.986 HD23 HG21 ' A' ' 94' ' ' ILE . 2.7 tp -100.67 116.96 33.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.649 179.073 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.535 HD23 ' HB3' ' A' ' 52' ' ' GLU . 0.3 OUTLIER -113.35 146.45 39.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.969 0.414 . . . . 0.0 111.546 -179.15 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.448 ' HB2' HG22 ' A' ' 27' ' ' VAL . 0.1 OUTLIER -157.15 132.84 9.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.468 179.2 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.501 ' CD2' ' HA2' ' A' ' 50' ' ' GLY . 0.1 OUTLIER -120.95 160.77 43.5 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.824 -179.464 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_exo -51.01 -35.89 52.06 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.669 2.246 . . . . 0.0 112.353 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.9 t -163.76 -176.16 4.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.816 HG22 HD12 ' A' ' 45' ' ' ILE . 3.3 mp -63.26 -43.77 98.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.869 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -51.83 -28.78 16.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.341 0.591 . . . . 0.0 110.136 179.232 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.443 ' HB2' ' CB ' ' A' ' 38' ' ' HIS . 1.3 m-20 -76.98 -37.79 54.45 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.638 179.533 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.5 ' CD2' ' CZ ' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -71.42 -51.32 24.59 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.25 0.548 . . . . 0.0 110.233 179.552 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.816 HD12 HG22 ' A' ' 41' ' ' ILE . 19.8 mt -59.9 -61.93 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.311 -0.858 . . . . 0.0 111.186 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.3 m80 -73.49 -24.47 60.19 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.766 -1.106 . . . . 0.0 112.212 -178.529 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' A' ' 43' ' ' ASP . 2.7 t 77.8 74.02 0.06 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.868 0.366 . . . . 0.0 111.271 179.657 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.442 ' O ' ' HB2' ' A' ' 49' ' ' HIS . 27.3 p -120.87 124.44 45.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.624 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.442 ' HB2' ' O ' ' A' ' 48' ' ' THR . 1.3 m-70 71.11 -60.16 0.52 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.405 -179.432 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.501 ' HA2' ' CD2' ' A' ' 38' ' ' HIS . . . 44.9 89.42 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.256 0 CA-C-N 115.571 -0.741 . . . . 0.0 113.272 179.484 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.412 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -83.87 131.37 34.88 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.689 0.281 . . . . 0.0 110.681 179.623 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.535 ' HB3' HD23 ' A' ' 36' ' ' LEU . 0.4 OUTLIER -132.11 133.28 44.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.152 0.501 . . . . 0.0 110.947 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.549 ' CE ' ' CG ' ' A' ' 102' ' ' TRP . 0.5 OUTLIER -118.91 120.1 36.28 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.345 -179.75 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.409 ' O ' HG23 ' A' ' 58' ' ' THR . 26.3 t0 -56.57 130.96 47.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.605 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.833 HD13 ' CB ' ' A' ' 122' ' ' GLN . 43.2 mt -95.09 24.18 5.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.42 -179.657 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.424 HD12 ' HB3' ' A' ' 126' ' ' SER . 26.3 tp -83.02 -57.37 3.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.758 0.313 . . . . 0.0 110.751 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 65.5 mtm180 -119.38 55.54 0.95 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.387 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.575 HG22 ' O ' ' A' ' 95' ' ' VAL . 0.6 OUTLIER -106.18 162.12 13.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.095 -179.858 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -131.98 168.86 17.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.761 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.713 HG11 HG13 ' A' ' 116' ' ' VAL . 21.6 t . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.812 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.468 ' CD2' ' HA ' ' A' ' 109' ' ' PHE . 3.7 m-30 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.931 0.396 . . . . 0.0 111.137 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.437 ' HB3' ' HE1' ' A' ' 103' ' ' HIS . 12.5 mp0 -151.1 129.95 12.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.401 179.778 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.603 ' CE1' HD11 ' A' ' 94' ' ' ILE . 25.9 p90 -124.9 153.7 42.24 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.812 0.339 . . . . 0.0 111.238 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -118.76 143.45 46.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.161 -179.737 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.986 HG21 HD23 ' A' ' 35' ' ' LEU . 11.1 mm -114.35 108.68 26.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.461 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.575 ' O ' HG22 ' A' ' 58' ' ' THR . 90.1 t -101.53 133.87 43.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.94 0.4 . . . . 0.0 111.611 -179.609 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.447 ' HA ' HG22 ' A' ' 58' ' ' THR . 0.1 OUTLIER -100.21 -173.94 2.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.249 179.239 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.53 -4.94 59.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.588 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 12.0 t -108.98 22.73 15.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.883 0.373 . . . . 0.0 111.266 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 80.64 -18.18 9.37 Favored Glycine 0 CA--C 1.521 0.455 0 C-N-CA 120.696 -0.764 . . . . 0.0 113.466 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.35 132.19 52.32 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 117.126 0.463 . . . . 0.0 110.702 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.45 HG23 HG22 ' A' ' 95' ' ' VAL . 18.1 m -130.41 114.91 16.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.491 -179.643 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.672 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 36.1 m0 -93.66 105.66 17.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.171 179.083 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.539 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.8 OUTLIER -94.82 116.54 28.86 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.746 179.544 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.825 ' CB ' HD23 ' A' ' 10' ' ' LEU . 19.7 m-85 -124.83 160.7 28.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.36 0.6 . . . . 0.0 112.006 -179.613 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.674 ' OE1' HD22 ' A' ' 11' ' ' LEU . 7.2 tm-20 -127.68 107.39 9.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.063 -0.971 . . . . 0.0 109.668 178.689 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.504 ' HB3' ' HB2' ' A' ' 112' ' ' ARG . . . -55.39 128.93 36.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.561 -179.168 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.63 -31.83 72.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.657 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.0 m -117.99 155.46 30.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.583 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.468 ' HA ' ' CD2' ' A' ' 90' ' ' PHE . 3.9 m-85 -65.99 -45.98 79.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.061 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.35 -32.83 74.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.893 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.42 -34.71 78.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.208 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.612 ' O ' HG23 ' A' ' 116' ' ' VAL . 0.0 OUTLIER -56.71 -49.36 75.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.02 -179.725 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -68.04 -42.39 80.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.857 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 118' ' ' ALA . . . -55.12 -53.37 56.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.419 179.552 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.728 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 55.6 m95 -57.87 -53.39 58.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.863 179.015 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.713 HG13 HG11 ' A' ' 60' ' ' VAL . 86.5 t -55.84 -33.54 34.93 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 CA-C-O 120.937 0.398 . . . . 0.0 110.104 179.443 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -80.03 -29.56 39.34 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.26 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.438 ' HB2' HG22 ' A' ' 5' ' ' ILE . . . -68.74 -47.22 66.87 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.038 0.447 . . . . 0.0 110.447 179.605 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.698 HG13 HD21 ' A' ' 29' ' ' LEU . 3.3 mp -66.01 -46.45 88.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.115 179.421 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.616 ' HG2' HG21 ' A' ' 60' ' ' VAL . 3.8 mm-40 -66.42 -32.88 74.53 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.185 179.132 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 28.8 t -68.44 -46.04 70.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.557 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.833 ' CB ' HD13 ' A' ' 55' ' ' LEU . 2.3 mp0 -62.83 -33.91 76.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.302 179.566 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.451 ' HA ' ' O ' ' A' ' 55' ' ' LEU . 25.5 mt -74.26 -35.21 39.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.663 179.556 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 26.6 tp -68.76 -36.98 79.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.666 179.482 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.35 -31.44 58.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.021 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.424 ' HB3' HD12 ' A' ' 56' ' ' LEU . 37.6 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.2 mp . . . . . 0 N--CA 1.455 -0.195 0 CA-C-O 120.606 0.241 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -55.77 124.26 15.84 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.366 2.044 . . . . 0.0 112.473 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.635 ' O ' ' HD2' ' A' ' 6' ' ' LYS . 17.1 mm -82.79 -36.35 13.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.149 -0.932 . . . . 0.0 109.727 179.213 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.749 ' HD3' ' HB2' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -174.1 111.55 0.17 Allowed 'General case' 0 CA--C 1.507 -0.708 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.986 177.943 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.818 ' HB2' HG23 ' A' ' 28' ' ' THR . 0.2 OUTLIER -121.34 108.09 13.29 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.665 178.948 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -156.0 -175.0 5.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.12 -179.42 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.742 ' O ' HD12 ' A' ' 10' ' ' LEU . 3.1 m-85 -84.71 144.89 28.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.273 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 1.015 HD22 HG21 ' A' ' 27' ' ' VAL . 10.9 mp -135.48 160.94 36.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.259 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.496 HD23 ' HB2' ' A' ' 22' ' ' TRP . 1.1 tp -97.61 142.05 29.9 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 179.068 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.448 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.0 OUTLIER -129.39 109.23 10.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.819 0.343 . . . . 0.0 111.155 -179.622 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.434 ' HB3' ' CE2' ' A' ' 22' ' ' TRP . 8.8 ptt180 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.6 mttt . . . . . 0 N--CA 1.456 -0.153 0 CA-C-O 121.075 0.464 . . . . 0.0 111.374 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -167.89 99.32 0.46 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.843 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.564 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 3.7 m95 -94.44 143.63 26.25 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.488 -178.825 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -118.51 157.19 27.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.507 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -63.21 127.85 33.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.096 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.446 ' HG3' ' HB2' ' A' ' 12' ' ' LYS . 19.4 mmtt -129.34 -176.27 3.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.691 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.508 ' O ' ' HA ' ' A' ' 37' ' ' TYR . 39.4 t80 -139.69 114.94 9.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.534 -179.601 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 1.015 HG21 HD22 ' A' ' 10' ' ' LEU . 2.0 t -120.19 148.85 23.06 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.267 0 CA-C-O 121.012 0.434 . . . . 0.0 111.784 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.818 HG23 ' HB2' ' A' ' 7' ' ' GLN . 85.4 m -138.65 110.66 7.27 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.867 178.467 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.757 HD23 ' CZ3' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -88.83 114.01 24.99 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 178.258 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.5 p -101.61 154.83 18.51 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.148 0.499 . . . . 0.0 111.729 -178.254 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.8 t -74.96 -1.18 21.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.066 179.203 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -91.08 26.1 2.26 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-O 120.772 0.32 . . . . 0.0 111.019 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.4 ' HA2' ' HB3' ' A' ' 122' ' ' GLN . . . 55.32 43.26 84.55 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.567 -0.825 . . . . 0.0 111.555 -179.503 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.503 ' N ' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -139.31 123.99 18.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.03 0.443 . . . . 0.0 111.654 -179.395 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.823 HD23 HG21 ' A' ' 94' ' ' ILE . 1.1 tp -106.87 117.02 32.94 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.438 178.786 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.561 HD12 ' O ' ' A' ' 28' ' ' THR . 0.2 OUTLIER -115.48 142.6 46.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.007 0.432 . . . . 0.0 111.664 -179.106 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.508 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.5 OUTLIER -145.45 125.63 13.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.51 179.161 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.521 ' HB3' ' CB ' ' A' ' 43' ' ' ASP . 1.2 m80 -113.47 159.97 33.34 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.67 -179.468 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_exo -47.19 -49.88 12.08 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.627 2.218 . . . . 0.0 112.57 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.7 t -156.35 -173.03 4.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.132 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.678 HG22 HD12 ' A' ' 45' ' ' ILE . 3.4 mp -60.98 -43.25 95.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -51.93 -26.94 11.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.286 0.565 . . . . 0.0 110.088 179.231 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.759 ' HA ' HG23 ' A' ' 48' ' ' THR . 5.1 m-20 -76.98 -41.01 44.74 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.756 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -70.94 -51.31 26.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.271 0.558 . . . . 0.0 109.956 179.406 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.678 HD12 HG22 ' A' ' 41' ' ' ILE . 23.9 mt -56.37 -61.8 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.979 179.63 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 10.3 m80 -73.64 -24.99 60.09 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.942 -1.026 . . . . 0.0 111.831 -178.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 m 75.72 73.35 0.09 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.893 0.377 . . . . 0.0 112.008 178.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.759 HG23 ' HA ' ' A' ' 43' ' ' ASP . 30.8 p -89.34 -154.22 0.3 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.049 178.661 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 12.7 t-160 -39.18 -56.73 1.44 Allowed 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.918 0.39 . . . . 0.0 111.45 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.469 ' HA2' ' CD2' ' A' ' 38' ' ' HIS . . . 57.39 99.13 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.719 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.446 ' HB3' ' CD1' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -79.2 137.79 37.57 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.781 0.324 . . . . 0.0 111.108 -179.888 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.42 ' HB2' ' CE1' ' A' ' 34' ' ' PHE . 1.1 pt-20 -130.56 133.05 45.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.487 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.529 ' CE ' ' CG ' ' A' ' 102' ' ' TRP . 0.7 OUTLIER -118.36 122.49 42.98 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.591 -179.619 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.66 131.95 52.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.416 179.65 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.668 HD13 ' CB ' ' A' ' 122' ' ' GLN . 14.4 mt -95.07 23.86 5.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.347 -179.565 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.15 -56.31 3.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.781 0.324 . . . . 0.0 110.82 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -121.0 53.54 1.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.992 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.577 HG22 ' O ' ' A' ' 95' ' ' VAL . 0.3 OUTLIER -106.93 161.96 14.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 179.911 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.97 165.44 23.14 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.826 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.645 HG21 ' HG3' ' A' ' 120' ' ' GLU . 6.9 m . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.593 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.509 ' CE1' ' CD2' ' A' ' 109' ' ' PHE . 4.6 m-85 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 121.011 0.434 . . . . 0.0 111.23 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.41 ' HB3' ' HE1' ' A' ' 103' ' ' HIS . 26.0 mt-10 -146.63 132.78 19.35 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.458 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.633 ' CE1' HD11 ' A' ' 94' ' ' ILE . 18.9 p90 -128.47 148.79 50.75 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.89 0.376 . . . . 0.0 111.608 -179.595 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.453 HD23 ' HB2' ' A' ' 103' ' ' HIS . 3.6 mt -110.74 142.84 42.14 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.978 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.823 HG21 HD23 ' A' ' 35' ' ' LEU . 10.3 mm -115.33 108.49 25.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.254 179.419 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.577 ' O ' HG22 ' A' ' 58' ' ' THR . 99.6 t -98.56 128.51 50.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.993 0.425 . . . . 0.0 111.655 -179.359 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.501 ' HA ' HG22 ' A' ' 58' ' ' THR . 0.2 OUTLIER -91.47 -174.08 3.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.285 179.333 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 25.8 t -83.63 -20.2 34.09 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.2 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.5 t -100.21 24.11 9.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.857 0.361 . . . . 0.0 111.044 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 83.79 -20.53 11.83 Favored Glycine 0 CA--C 1.52 0.385 0 C-N-CA 120.657 -0.782 . . . . 0.0 113.292 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -48.51 124.99 8.97 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 117.1 0.45 . . . . 0.0 110.756 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.449 ' HA ' ' O ' ' A' ' 94' ' ' ILE . 10.9 m -125.08 114.83 19.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.044 0.45 . . . . 0.0 111.833 -179.304 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.641 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 35.7 m0 -96.74 109.08 21.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.385 178.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.564 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.8 OUTLIER -99.11 116.5 31.48 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.731 179.341 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.844 ' CB ' HD23 ' A' ' 10' ' ' LEU . 15.3 m-85 -125.47 160.17 30.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.361 0.6 . . . . 0.0 112.044 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.479 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 0.1 OUTLIER -127.68 105.79 8.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.56 178.655 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.662 ' HB3' ' HB2' ' A' ' 112' ' ' ARG . . . -52.75 127.94 24.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.67 -179.176 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.65 -27.55 62.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.748 179.523 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.57 159.12 24.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.537 179.63 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.509 ' CD2' ' CE1' ' A' ' 90' ' ' PHE . 2.5 m-30 -65.8 -55.66 15.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.051 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -64.43 -32.54 74.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.057 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.628 ' HB3' ' HB1' ' A' ' 106' ' ' ALA . 3.3 tt0 -56.51 -42.6 78.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.321 -179.614 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.81 ' O ' HG23 ' A' ' 116' ' ' VAL . 2.1 ttp85 -56.85 -49.73 74.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.777 0.322 . . . . 0.0 111.097 -179.716 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -62.66 -40.79 98.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.454 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.698 ' HB1' ' HE2' ' A' ' 6' ' ' LYS . . . -59.41 -53.4 58.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.201 179.215 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.757 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 45.4 m95 -56.5 -50.57 71.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.625 178.479 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 112' ' ' ARG . 60.5 t -57.06 -35.4 47.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.798 179.654 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.31 -33.89 49.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.578 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.749 ' HB2' ' HD3' ' A' ' 6' ' ' LYS . . . -67.42 -44.74 78.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.973 0.416 . . . . 0.0 110.29 179.393 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.666 HG13 HD21 ' A' ' 29' ' ' LEU . 1.6 mp -62.85 -50.93 77.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.736 178.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.91 ' HA ' HD12 ' A' ' 123' ' ' ILE . 1.2 mt-10 -65.33 -32.72 74.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.049 179.077 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 28.2 t -67.65 -44.06 78.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.505 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.668 ' CB ' HD13 ' A' ' 55' ' ' LEU . 66.7 mm-40 -64.19 -31.93 73.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.428 179.562 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.91 HD12 ' HA ' ' A' ' 120' ' ' GLU . 21.5 mt -68.98 -44.42 81.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.099 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.9 tt -64.72 -36.5 84.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.617 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.33 -31.16 57.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.95 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 4.5 m . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.968 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.4 ' O ' ' HB2' ' A' ' 31' ' ' SER . 10.6 mt . . . . . 0 N--CA 1.455 -0.175 0 CA-C-O 120.557 0.217 . . . . 0.0 110.821 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -58.75 127.72 25.49 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.302 2.001 . . . . 0.0 112.283 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.468 ' HB ' ' HB3' ' A' ' 29' ' ' LEU . 18.4 mm -93.27 -19.72 6.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.275 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.612 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 0.0 OUTLIER 175.87 110.52 0.02 OUTLIER 'General case' 0 C--O 1.216 -0.705 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.122 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.734 ' HB3' HG23 ' A' ' 28' ' ' THR . 15.5 pt20 -131.31 114.64 15.26 Favored 'General case' 0 C--N 1.312 -1.039 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.577 179.55 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.25 -175.15 1.88 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.313 -179.665 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.548 ' CE1' HD11 ' A' ' 41' ' ' ILE . 3.8 m-85 -81.85 131.82 35.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.235 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.792 HD23 ' HB3' ' A' ' 104' ' ' PHE . 4.5 mp -125.27 153.66 42.88 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.341 179.585 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.492 ' CD2' ' HB2' ' A' ' 22' ' ' TRP . 1.5 tp -90.52 132.1 35.88 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.21 179.365 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.418 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.1 OUTLIER -118.48 110.41 17.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.127 -179.391 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.455 ' HB3' ' CE2' ' A' ' 22' ' ' TRP . 3.2 ptt180 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.953 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.462 ' HD3' ' CZ2' ' A' ' 22' ' ' TRP . 18.5 mttt . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 121.145 0.497 . . . . 0.0 111.23 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -163.55 98.3 0.89 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.772 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.523 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 3.2 m95 -94.08 128.12 40.29 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.31 -178.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.88 160.12 15.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.302 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.0 mmtm -63.01 122.59 16.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.956 0.408 . . . . 0.0 110.734 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.3 tptt -122.21 179.78 4.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.713 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.52 ' CE1' ' CG ' ' A' ' 44' ' ' TYR . 46.7 t80 -139.27 115.1 10.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.245 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.636 HG23 ' HB2' ' A' ' 10' ' ' LEU . 2.0 t -122.7 147.53 26.85 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.316 0 CA-C-O 120.973 0.416 . . . . 0.0 111.808 -179.18 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.734 HG23 ' HB3' ' A' ' 7' ' ' GLN . 91.5 m -138.81 110.52 7.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.032 177.695 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.749 HD21 HG13 ' A' ' 119' ' ' ILE . 0.2 OUTLIER -89.44 115.57 26.98 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 177.822 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 29.0 t -105.47 160.77 14.89 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.028 0.442 . . . . 0.0 111.383 -178.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.4 ' HB2' ' O ' ' A' ' 3' ' ' ILE . 4.4 t -76.19 2.24 13.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.278 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -89.84 26.12 1.89 Allowed 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.748 0.308 . . . . 0.0 111.357 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 53.61 39.88 61.67 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.659 -0.782 . . . . 0.0 111.699 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.51 ' N ' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -138.94 127.73 23.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.09 0.471 . . . . 0.0 111.359 -179.423 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.925 HD23 HG21 ' A' ' 94' ' ' ILE . 1.6 tp -105.46 116.96 32.83 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.519 179.042 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.71 HD23 ' CG ' ' A' ' 52' ' ' GLU . 0.5 OUTLIER -112.83 147.66 36.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.048 0.451 . . . . 0.0 111.569 -179.002 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.466 ' CE1' ' CB ' ' A' ' 51' ' ' LYS . 0.3 OUTLIER -156.07 129.87 8.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.484 179.251 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.503 ' CD2' ' HA2' ' A' ' 50' ' ' GLY . 0.1 OUTLIER -120.03 158.39 50.43 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.737 -179.478 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -48.5 -42.02 35.76 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.715 2.276 . . . . 0.0 112.478 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 25.0 t -155.84 -172.43 4.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.811 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.801 HG22 HD12 ' A' ' 45' ' ' ILE . 3.2 mp -66.68 -43.25 90.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.799 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -52.04 -28.34 16.9 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.289 0.566 . . . . 0.0 110.116 179.12 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.425 ' HB2' ' CB ' ' A' ' 38' ' ' HIS . 1.3 m-20 -76.9 -39.09 52.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.776 179.531 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.52 ' CG ' ' CE1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -70.49 -51.23 30.5 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.205 0.526 . . . . 0.0 110.177 179.511 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.801 HD12 HG22 ' A' ' 41' ' ' ILE . 21.5 mt -59.57 -62.17 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.195 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.8 m80 -73.53 -24.59 60.16 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.798 -1.092 . . . . 0.0 112.231 -178.497 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.409 ' HA ' ' O ' ' A' ' 43' ' ' ASP . 1.8 m 77.72 74.21 0.06 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.896 0.379 . . . . 0.0 111.316 179.573 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 34.7 p -118.95 119.68 35.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 71.78 -59.84 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.541 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.503 ' HA2' ' CD2' ' A' ' 38' ' ' HIS . . . 45.29 90.06 0.01 OUTLIER Glycine 0 N--CA 1.453 -0.189 0 CA-C-N 115.466 -0.788 . . . . 0.0 113.219 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.466 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -80.54 130.29 35.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.735 0.302 . . . . 0.0 110.608 179.615 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.71 ' CG ' HD23 ' A' ' 36' ' ' LEU . 2.6 mt-10 -125.34 147.5 49.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.084 0.468 . . . . 0.0 110.953 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.697 ' HE2' ' CE2' ' A' ' 102' ' ' TRP . 0.6 OUTLIER -130.87 116.07 17.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.754 -179.741 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.4 p-10 -56.77 125.62 23.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.395 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.648 HD13 ' CB ' ' A' ' 122' ' ' GLN . 80.9 mt -93.74 33.05 1.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.533 -179.403 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.31 -53.69 5.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.834 0.35 . . . . 0.0 110.761 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.78 54.46 1.93 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.691 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.572 HG22 ' O ' ' A' ' 95' ' ' VAL . 0.2 OUTLIER -99.74 162.01 13.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.789 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.401 HG22 ' H ' ' A' ' 60' ' ' VAL . 0.2 OUTLIER -126.96 173.81 9.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.993 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.773 HG11 HG13 ' A' ' 116' ' ' VAL . 22.1 t . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.649 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.498 ' CZ ' ' CD2' ' A' ' 109' ' ' PHE . 4.2 m-85 . . . . . 0 CA--C 1.527 0.072 0 CA-C-O 120.898 0.38 . . . . 0.0 111.31 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.407 ' HB3' ' HE1' ' A' ' 103' ' ' HIS . 15.9 mp0 -151.05 139.25 20.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.253 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.646 ' CE2' HD11 ' A' ' 94' ' ' ILE . 3.3 p90 -133.38 145.63 50.51 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.96 0.409 . . . . 0.0 111.323 -179.551 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.437 ' O ' ' HA ' ' A' ' 60' ' ' VAL . 0.8 OUTLIER -109.11 139.67 43.7 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.072 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.925 HG21 HD23 ' A' ' 35' ' ' LEU . 12.2 mm -110.31 108.46 25.48 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.09 179.543 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.572 ' O ' HG22 ' A' ' 58' ' ' THR . 87.3 t -103.38 134.66 43.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.219 0.533 . . . . 0.0 112.169 -179.078 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.55 ' OG ' HG22 ' A' ' 98' ' ' THR . 0.1 OUTLIER -102.38 179.27 4.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.45 -0.796 . . . . 0.0 109.871 178.825 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.41 ' N ' ' OG ' ' A' ' 96' ' ' SER . 0.0 OUTLIER -80.74 -6.45 58.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.68 -0.236 . . . . 0.0 111.513 -179.808 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.55 HG22 ' OG ' ' A' ' 96' ' ' SER . 11.3 t -108.22 22.26 16.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.991 0.424 . . . . 0.0 111.212 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 82.69 -21.21 7.83 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 120.732 -0.747 . . . . 0.0 113.272 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.05 123.39 10.37 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.954 0.377 . . . . 0.0 110.721 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.567 HG23 HG22 ' A' ' 95' ' ' VAL . 8.8 m -127.83 114.68 17.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.973 0.416 . . . . 0.0 111.597 -179.498 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.697 ' CE2' ' HE2' ' A' ' 53' ' ' MET . 35.7 m0 -97.71 108.02 20.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.31 178.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.523 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.8 OUTLIER -97.78 116.3 29.72 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.718 179.357 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.792 ' HB3' HD23 ' A' ' 10' ' ' LEU . 19.0 m-85 -123.27 166.93 14.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.307 0.575 . . . . 0.0 111.638 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.425 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 0.4 OUTLIER -132.23 106.18 7.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.953 179.087 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.655 ' HB3' ' HB2' ' A' ' 112' ' ' ARG . . . -52.39 127.94 23.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.649 -179.277 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.31 -27.47 67.35 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.739 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.21 158.58 29.11 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.678 179.726 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.498 ' CD2' ' CZ ' ' A' ' 90' ' ' PHE . 2.7 m-85 -66.16 -43.27 87.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.038 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -73.48 -32.82 64.51 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.009 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -61.05 -39.26 89.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.183 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.713 ' NH1' HG21 ' A' ' 116' ' ' VAL . 1.7 ttt-85 -56.76 -49.47 75.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.133 -179.712 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.26 -47.3 84.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.962 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -53.28 -52.39 59.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.742 0.306 . . . . 0.0 110.573 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.705 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 52.3 m95 -56.6 -52.29 65.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.973 179.088 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.773 HG13 HG11 ' A' ' 60' ' ' VAL . 66.7 t -55.35 -36.53 40.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.928 0.394 . . . . 0.0 110.302 179.51 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -78.79 -29.41 44.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.517 179.202 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.412 ' CB ' HG22 ' A' ' 5' ' ' ILE . . . -67.21 -48.42 67.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.169 0.509 . . . . 0.0 110.393 179.469 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.749 HG13 HD21 ' A' ' 29' ' ' LEU . 3.1 mp -63.79 -49.84 80.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.113 179.232 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.462 ' HA ' HD12 ' A' ' 123' ' ' ILE . 37.6 mt-10 -64.04 -32.7 74.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.943 0.401 . . . . 0.0 110.207 179.236 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.8 m -64.93 -44.42 89.53 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.774 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.648 ' CB ' HD13 ' A' ' 55' ' ' LEU . 0.8 OUTLIER -68.33 -33.07 73.64 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.678 179.872 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.462 HD12 ' HA ' ' A' ' 120' ' ' GLU . 20.2 mt -74.18 -36.51 43.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.785 179.509 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.75 -35.04 76.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.657 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.4 -33.6 58.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.95 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.991 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.414 ' CG2' ' HD2' ' A' ' 4' ' ' PRO . 15.0 mt . . . . . 0 N--CA 1.457 -0.121 0 CA-C-O 120.498 0.189 . . . . 0.0 110.813 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.414 ' HD2' ' CG2' ' A' ' 3' ' ' ILE . 36.2 Cg_endo -65.91 127.08 17.03 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.348 2.032 . . . . 0.0 112.332 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.531 ' N ' ' O ' ' A' ' 29' ' ' LEU . 29.1 mm -90.06 -20.55 6.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.183 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.618 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 0.0 OUTLIER 178.98 110.54 0.03 OUTLIER 'General case' 0 C--O 1.216 -0.677 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.04 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.893 ' HB3' HG23 ' A' ' 28' ' ' THR . 10.7 pt20 -131.17 111.67 12.16 Favored 'General case' 0 C--N 1.312 -1.043 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.705 179.43 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.3 m -168.48 -175.1 2.4 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.526 ' CD1' HD11 ' A' ' 41' ' ' ILE . 1.5 m-85 -79.34 132.21 36.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.064 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.874 HD23 ' HB3' ' A' ' 104' ' ' PHE . 4.5 mp -126.6 146.88 49.99 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.598 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.451 ' CD2' ' HB2' ' A' ' 22' ' ' TRP . 1.1 mp -81.9 135.81 35.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.15 179.504 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.41 ' CB ' ' HD3' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -129.24 114.81 16.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.945 0.403 . . . . 0.0 111.234 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.448 ' CB ' ' HD2' ' A' ' 20' ' ' LYS . 11.6 ptt180 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.183 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.448 ' HD2' ' CB ' ' A' ' 13' ' ' ARG . 6.9 mmtt . . . . . 0 C--O 1.23 0.079 0 CA-C-O 121.036 0.446 . . . . 0.0 111.491 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -164.32 98.01 0.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.196 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.563 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 3.2 m95 -98.5 126.95 44.24 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.218 -179.261 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.6 152.56 18.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.588 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.01 111.93 2.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.748 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.41 ' HD3' ' CB ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -110.77 -174.06 2.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.776 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.503 ' CE1' ' CG ' ' A' ' 44' ' ' TYR . 50.8 t80 -141.27 117.16 10.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.515 -179.746 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.745 ' CG1' HD11 ' A' ' 35' ' ' LEU . 2.0 t -124.88 147.92 29.4 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.31 0 CA-C-O 120.961 0.41 . . . . 0.0 111.751 -179.491 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.893 HG23 ' HB3' ' A' ' 7' ' ' GLN . 87.4 m -138.83 110.98 7.33 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.863 177.822 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.755 HD22 HD13 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -88.98 115.88 26.86 Favored 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 178.19 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.9 t -104.05 162.58 13.04 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.917 0.389 . . . . 0.0 111.402 -178.522 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.6 t -80.51 4.36 18.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.18 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -91.63 26.25 2.4 Favored 'General case' 0 CA--C 1.522 -0.112 0 CA-C-O 120.805 0.336 . . . . 0.0 111.283 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 54.63 37.25 60.63 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.51 -0.853 . . . . 0.0 111.545 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.434 ' CE2' ' HB2' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -139.46 133.86 31.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.994 0.426 . . . . 0.0 111.373 -179.536 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.842 HD23 HG21 ' A' ' 94' ' ' ILE . 1.3 tp -113.98 117.0 30.11 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.856 179.053 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.655 ' N ' HD12 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -112.96 151.34 30.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.058 -179.578 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.476 ' HB3' HG13 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -158.7 136.32 10.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.716 179.549 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.506 ' CD2' ' HA2' ' A' ' 50' ' ' GLY . 0.2 OUTLIER -118.58 160.27 40.73 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.852 -179.684 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.07 -34.95 70.36 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.584 2.19 . . . . 0.0 112.299 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.23 179.58 8.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.676 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.808 HG22 HD12 ' A' ' 45' ' ' ILE . 3.3 mp -61.7 -43.98 98.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.868 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -51.88 -28.6 16.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.4 0.619 . . . . 0.0 110.127 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.462 ' CB ' ' HB3' ' A' ' 38' ' ' HIS . 1.4 m-20 -76.96 -39.38 50.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.748 179.534 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.503 ' CG ' ' CE1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -70.57 -51.28 29.48 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.268 0.556 . . . . 0.0 110.199 179.528 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.808 HD12 HG22 ' A' ' 41' ' ' ILE . 22.2 mt -58.75 -61.8 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.132 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.402 ' O ' ' CB ' ' A' ' 47' ' ' SER . 8.9 m80 -73.52 -24.52 60.16 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.797 -1.092 . . . . 0.0 112.075 -178.693 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.402 ' CB ' ' O ' ' A' ' 46' ' ' HIS . 4.2 t 78.61 74.95 0.05 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.881 0.372 . . . . 0.0 111.557 179.29 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 41.7 p -121.18 116.01 24.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 179.423 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 75.8 -61.24 0.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.412 -179.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.506 ' HA2' ' CD2' ' A' ' 38' ' ' HIS . . . 43.24 88.39 0.01 OUTLIER Glycine 0 N--CA 1.453 -0.208 0 CA-C-N 115.409 -0.814 . . . . 0.0 113.298 179.46 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.445 ' HB2' ' CD1' ' A' ' 37' ' ' TYR . 0.4 OUTLIER -74.6 159.06 32.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.754 0.311 . . . . 0.0 110.519 179.561 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.469 ' HA ' ' O ' ' A' ' 35' ' ' LEU . 4.0 pt-20 -161.75 154.02 19.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.984 0.421 . . . . 0.0 110.893 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.684 ' HE3' ' CE2' ' A' ' 102' ' ' TRP . 7.2 ptp -142.66 152.9 42.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.247 -179.587 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.53 ' O ' HG23 ' A' ' 58' ' ' THR . 0.7 OUTLIER -81.17 124.22 29.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.815 178.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.79 HD13 ' CB ' ' A' ' 122' ' ' GLN . 8.6 mt -90.15 22.41 3.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.687 -179.345 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.6 tt -83.19 -40.86 19.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.722 0.296 . . . . 0.0 110.916 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 30.1 mtp85 -130.83 43.95 3.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.035 0.445 . . . . 0.0 110.955 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.624 HG22 ' O ' ' A' ' 95' ' ' VAL . 0.6 OUTLIER -92.15 161.9 14.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.985 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.41 165.28 24.64 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.456 179.541 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 93' ' ' LEU . 2.7 m . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.735 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.567 ' CD1' ' N ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.935 0.398 . . . . 0.0 111.031 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -143.49 129.99 20.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.364 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.663 ' CE1' HD11 ' A' ' 94' ' ' ILE . 13.5 p90 -125.34 147.04 49.3 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.994 0.426 . . . . 0.0 111.319 -179.553 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.407 ' O ' ' HA ' ' A' ' 60' ' ' VAL . 5.6 mt -107.11 140.26 40.22 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.654 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.842 HG21 HD23 ' A' ' 35' ' ' LEU . 11.4 mm -116.69 112.29 38.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.869 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.624 ' O ' HG22 ' A' ' 58' ' ' THR . 62.0 t -102.77 127.65 56.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.853 0.359 . . . . 0.0 111.421 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.608 ' HA ' HG22 ' A' ' 58' ' ' THR . 36.9 t -89.7 -175.29 4.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.472 179.421 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.8 t -82.0 -12.98 58.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.372 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.1 t -102.89 24.51 10.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.852 0.358 . . . . 0.0 111.155 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 77.73 -8.47 35.41 Favored Glycine 0 CA--C 1.521 0.426 0 C-N-CA 120.764 -0.731 . . . . 0.0 113.46 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.79 141.51 55.14 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 117.267 0.534 . . . . 0.0 110.529 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.429 HG23 HG22 ' A' ' 95' ' ' VAL . 4.3 m -134.93 114.88 12.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.95 0.405 . . . . 0.0 111.665 -179.652 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.684 ' CE2' ' HE3' ' A' ' 53' ' ' MET . 33.7 m0 -101.21 105.68 16.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.572 179.233 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.563 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.8 OUTLIER -91.26 116.34 28.75 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.556 -0.457 . . . . 0.0 110.275 179.136 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.874 ' HB3' HD23 ' A' ' 10' ' ' LEU . 21.8 m-85 -123.01 161.19 24.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.395 0.617 . . . . 0.0 112.003 -179.537 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.464 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 34.1 tt0 -131.8 104.27 6.79 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.21 -0.905 . . . . 0.0 109.66 178.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.625 ' HB2' ' HA ' ' A' ' 112' ' ' ARG . . . -49.35 126.02 12.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.866 -179.09 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.96 -31.38 72.47 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.315 179.313 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -119.29 146.65 45.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.445 179.425 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.557 ' CE1' ' CD1' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -61.01 -34.38 74.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.319 -179.564 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -73.72 -32.66 64.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.929 0.395 . . . . 0.0 110.841 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -71.3 -34.35 70.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.385 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.625 ' HA ' ' HB2' ' A' ' 106' ' ' ALA . 0.0 OUTLIER -56.8 -42.38 79.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.723 0.297 . . . . 0.0 110.957 -179.636 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -74.65 -46.53 37.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.583 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 118' ' ' ALA . . . -52.71 -52.79 54.63 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.29 179.432 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.698 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 52.8 m95 -56.76 -55.48 33.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.853 179.008 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 112' ' ' ARG . 75.6 t -54.06 -34.81 27.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 CA-C-O 121.072 0.463 . . . . 0.0 110.056 179.422 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.501 ' HA ' ' HG2' ' A' ' 120' ' ' GLU . 10.1 mt-30 -79.09 -27.8 42.98 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.26 178.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.45 ' HB2' HG22 ' A' ' 5' ' ' ILE . . . -71.57 -42.81 67.34 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.448 179.508 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.666 HG13 HD21 ' A' ' 29' ' ' LEU . 2.7 mp -67.01 -49.31 74.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.256 179.5 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.892 ' HA ' HD12 ' A' ' 123' ' ' ILE . 12.6 pt-20 -66.16 -32.68 74.26 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.904 0.383 . . . . 0.0 110.17 179.139 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 9.8 t -64.2 -41.48 97.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.309 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.79 ' CB ' HD13 ' A' ' 55' ' ' LEU . 57.6 mm-40 -67.85 -34.23 76.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.393 179.552 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.892 HD12 ' HA ' ' A' ' 120' ' ' GLU . 12.3 mt -70.46 -37.67 71.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.967 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 10.0 tp -68.56 -39.33 81.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.3 -29.16 57.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.043 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.048 -179.921 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.409 ' O ' HD12 ' A' ' 5' ' ' ILE . 21.0 mm . . . . . 0 N--CA 1.456 -0.147 0 CA-C-O 120.595 0.236 . . . . 0.0 110.807 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.402 ' HD2' ' CG2' ' A' ' 3' ' ' ILE . 12.0 Cg_exo -70.22 127.88 14.83 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.589 2.193 . . . . 0.0 112.393 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.56 ' N ' HD12 ' A' ' 5' ' ' ILE . 1.4 mp -91.91 -19.81 6.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.018 179.526 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.604 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 0.0 OUTLIER -178.44 110.1 0.06 Allowed 'General case' 0 C--O 1.219 -0.54 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.044 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.851 ' HB3' HG23 ' A' ' 28' ' ' THR . 12.7 pt20 -131.61 116.2 17.08 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-O 120.867 0.365 . . . . 0.0 110.242 178.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.8 p -171.12 -175.98 1.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.383 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.566 ' CE1' HD11 ' A' ' 41' ' ' ILE . 2.2 m-30 -80.83 122.53 27.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.156 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.839 HD23 ' HB3' ' A' ' 104' ' ' PHE . 4.7 mp -115.62 156.51 25.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.424 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' A' ' 104' ' ' PHE . 1.2 tp -94.86 130.38 41.47 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.361 179.325 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.459 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.1 OUTLIER -113.3 112.43 23.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.887 0.375 . . . . 0.0 110.924 -179.678 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.8 ttp180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.876 179.805 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 121.02 0.438 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -177.45 102.57 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.11 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.57 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 3.3 m95 -105.1 150.58 24.89 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.44 -179.019 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.63 153.12 38.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.491 179.564 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.17 120.87 12.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.907 0.384 . . . . 0.0 111.08 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.469 ' HE2' ' CE2' ' A' ' 37' ' ' TYR . 4.4 mmmm -126.62 166.77 16.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.409 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.485 ' CE1' ' CG ' ' A' ' 44' ' ' TYR . 47.6 t80 -123.26 115.28 21.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.609 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.693 HG23 ' HB2' ' A' ' 10' ' ' LEU . 1.9 t -119.82 149.3 22.5 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.336 0 CA-C-O 121.053 0.454 . . . . 0.0 111.515 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.851 HG23 ' HB3' ' A' ' 7' ' ' GLN . 93.6 m -138.67 121.36 16.36 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.121 177.458 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.751 HD23 ' CZ3' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -99.65 113.16 25.42 Favored 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 178.206 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.451 ' C ' HD13 ' A' ' 5' ' ' ILE . 37.5 t -103.09 164.08 11.83 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.138 0.494 . . . . 0.0 111.364 -178.302 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.512 ' HB2' HD11 ' A' ' 5' ' ' ILE . 6.6 t -80.55 4.84 17.09 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.178 179.61 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -92.99 26.06 2.96 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.751 0.31 . . . . 0.0 111.153 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 53.16 41.42 61.0 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.681 -0.771 . . . . 0.0 111.951 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.533 ' N ' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -139.26 126.86 21.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.007 0.432 . . . . 0.0 111.513 -179.397 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.965 HD23 HG21 ' A' ' 94' ' ' ILE . 1.6 tp -106.43 117.22 33.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.664 179.068 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.863 HD23 ' CG ' ' A' ' 52' ' ' GLU . 0.2 OUTLIER -115.48 144.55 43.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.017 0.437 . . . . 0.0 111.64 -179.095 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.469 ' CE2' ' HE2' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -150.1 125.14 9.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.403 179.175 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.489 ' HB3' ' CB ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -114.98 161.78 27.42 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.76 -179.184 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.43 ' HD2' ' HB3' ' A' ' 38' ' ' HIS . 86.3 Cg_exo -47.4 -51.8 8.98 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.667 2.245 . . . . 0.0 112.731 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.32 -171.49 3.93 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.098 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.753 HG22 HD12 ' A' ' 45' ' ' ILE . 3.2 mp -64.28 -41.32 92.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.954 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -51.83 -27.17 11.63 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.349 0.595 . . . . 0.0 110.004 179.179 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.742 ' HA ' HG23 ' A' ' 48' ' ' THR . 3.5 m-20 -76.85 -41.2 44.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.827 179.625 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.485 ' CG ' ' CE1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -70.35 -51.15 32.07 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.31 0.576 . . . . 0.0 110.103 179.417 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.753 HD12 HG22 ' A' ' 41' ' ' ILE . 25.0 mt -57.09 -61.9 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.36 -0.837 . . . . 0.0 111.024 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -73.6 -24.86 60.11 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.902 -178.769 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.9 m 75.12 72.57 0.09 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.973 0.415 . . . . 0.0 111.907 178.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.742 HG23 ' HA ' ' A' ' 43' ' ' ASP . 30.1 p -89.51 -153.58 0.28 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.059 -0.518 . . . . 0.0 109.902 178.649 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -38.07 -57.2 1.08 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.942 0.401 . . . . 0.0 111.212 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.455 ' CA ' ' CD2' ' A' ' 38' ' ' HIS . . . 55.36 97.45 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.39 0 CA-C-N 115.908 -0.587 . . . . 0.0 113.017 179.476 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.438 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . 1.7 mmtp -70.34 149.59 47.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.637 0.256 . . . . 0.0 110.805 179.692 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.863 ' CG ' HD23 ' A' ' 36' ' ' LEU . 10.7 mt-10 -140.45 133.28 29.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.024 0.44 . . . . 0.0 110.835 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.54 ' CE ' ' CG ' ' A' ' 102' ' ' TRP . 0.6 OUTLIER -121.04 119.0 31.23 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.398 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.8 128.91 39.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.382 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.909 HD13 ' CB ' ' A' ' 122' ' ' GLN . 17.0 mt -93.7 30.3 1.82 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.484 -179.334 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.39 -61.63 1.79 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.78 0.324 . . . . 0.0 110.888 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -118.95 47.5 1.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.783 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.533 HG22 ' O ' ' A' ' 95' ' ' VAL . 0.4 OUTLIER -94.58 162.08 13.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.091 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.27 170.9 12.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.582 179.633 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.416 ' HA ' ' O ' ' A' ' 93' ' ' LEU . 5.0 m . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.648 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.488 ' CG ' ' HG2' ' A' ' 112' ' ' ARG . 82.5 m-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.014 0.435 . . . . 0.0 111.697 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.53 ' HB3' ' HE1' ' A' ' 103' ' ' HIS . 3.9 mp0 -143.93 129.92 19.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.028 179.477 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.567 ' CE2' HD11 ' A' ' 94' ' ' ILE . 2.8 p90 -129.84 137.81 50.65 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.984 0.421 . . . . 0.0 111.39 -179.668 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.416 ' O ' ' HA ' ' A' ' 60' ' ' VAL . 0.7 OUTLIER -106.02 143.37 34.25 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.203 -179.616 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.965 HG21 HD23 ' A' ' 35' ' ' LEU . 19.3 mm -112.38 108.65 26.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.626 179.703 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.805 HG22 HG23 ' A' ' 101' ' ' THR . 92.5 t -101.06 130.51 50.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.96 0.409 . . . . 0.0 111.632 -179.657 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.505 ' HA ' HG22 ' A' ' 58' ' ' THR . 0.1 OUTLIER -94.6 -174.17 3.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.249 179.352 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 p -83.39 -19.22 36.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.255 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.0 t -100.03 23.9 9.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.867 0.365 . . . . 0.0 111.155 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 83.52 -20.46 11.29 Favored Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.634 -0.793 . . . . 0.0 113.372 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 15.0 tp60 -48.64 123.9 7.5 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 117.146 0.473 . . . . 0.0 110.79 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.805 HG23 HG22 ' A' ' 95' ' ' VAL . 1.3 m -126.27 114.82 18.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.876 0.369 . . . . 0.0 111.839 -179.396 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.675 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 35.4 m0 -98.39 105.61 17.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.151 178.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.57 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.8 OUTLIER -92.32 116.55 29.07 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.676 179.678 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.839 ' HB3' HD23 ' A' ' 10' ' ' LEU . 21.7 m-85 -124.36 159.9 29.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.435 0.635 . . . . 0.0 112.212 -179.606 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.443 ' HB2' ' CE3' ' A' ' 22' ' ' TRP . 1.1 tt0 -124.75 108.22 11.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.1 -0.954 . . . . 0.0 109.771 179.074 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.599 ' HB2' ' HA ' ' A' ' 112' ' ' ARG . . . -52.99 119.03 4.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.602 -179.404 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.72 -37.24 75.71 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.522 179.457 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.61 139.84 46.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.22 179.357 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.428 ' CG ' ' HE2' ' A' ' 90' ' ' PHE . 6.8 m-30 -56.22 -36.06 68.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.198 -179.581 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -74.37 -37.91 63.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.259 0.552 . . . . 0.0 110.693 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.41 -32.02 71.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.516 -179.547 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.659 ' O ' HG23 ' A' ' 116' ' ' VAL . 2.3 ppt_? -56.72 -40.62 76.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.765 0.317 . . . . 0.0 110.835 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -74.84 -45.6 42.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.561 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -54.08 -52.81 59.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.326 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.751 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 57.5 m95 -57.72 -55.28 36.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.655 178.824 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 112' ' ' ARG . 73.4 t -53.32 -36.13 25.78 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-O 120.869 0.366 . . . . 0.0 110.041 179.596 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -77.29 -29.75 53.89 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.688 178.711 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.518 ' HB2' HG22 ' A' ' 5' ' ' ILE . . . -67.85 -41.82 82.33 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.452 179.379 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.615 HD12 HD21 ' A' ' 29' ' ' LEU . 2.0 mm -66.75 -51.58 54.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.156 179.404 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -64.78 -32.76 74.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.393 179.396 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 22.9 t -66.84 -41.48 87.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.538 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.909 ' CB ' HD13 ' A' ' 55' ' ' LEU . 65.0 mm-40 -69.53 -35.93 75.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.379 179.633 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.468 HD11 HG22 ' A' ' 119' ' ' ILE . 16.0 mt -73.32 -33.15 40.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.71 179.488 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.7 tt -68.52 -37.89 80.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.434 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.36 -30.13 57.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 15.2 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.968 -179.868 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.488 ' N ' ' HG ' ' A' ' 31' ' ' SER . 11.9 mt . . . . . 0 N--CA 1.456 -0.14 0 CA-C-O 120.588 0.233 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.426 ' HD2' ' CG2' ' A' ' 3' ' ' ILE . 20.9 Cg_endo -60.92 130.34 32.44 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.332 2.022 . . . . 0.0 112.242 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.461 HG22 ' HB2' ' A' ' 118' ' ' ALA . 45.9 mm -91.2 -21.79 6.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.698 179.702 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.616 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 0.0 OUTLIER 179.95 110.6 0.04 OUTLIER 'General case' 0 C--O 1.218 -0.575 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 179.079 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.702 ' HB2' HG23 ' A' ' 28' ' ' THR . 0.5 OUTLIER -127.91 110.68 12.79 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-O 120.936 0.398 . . . . 0.0 110.7 179.679 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.02 -175.21 3.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.89 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.502 ' C ' HD12 ' A' ' 10' ' ' LEU . 2.6 m-85 -84.49 145.51 28.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.956 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.788 HD23 ' HB3' ' A' ' 104' ' ' PHE . 6.6 mp -137.19 153.63 50.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.824 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.503 HD23 ' HB2' ' A' ' 22' ' ' TRP . 1.0 OUTLIER -87.64 137.66 32.14 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.256 179.38 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.462 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.0 OUTLIER -129.65 123.84 32.21 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.834 0.35 . . . . 0.0 111.427 -179.389 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.467 ' HG3' ' CE2' ' A' ' 22' ' ' TRP . 23.4 mtp180 . . . . . 0 C--N 1.331 -0.216 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.009 179.563 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.4 mttt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 121.171 0.51 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -172.14 101.1 0.16 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.826 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.511 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 2.8 m95 -98.07 143.63 28.41 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.337 -178.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.9 158.88 28.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.488 179.64 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.86 124.03 20.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.849 0.356 . . . . 0.0 110.815 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.406 ' HD2' ' HB3' ' A' ' 12' ' ' LYS . 0.8 OUTLIER -126.58 -174.08 3.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.047 -179.776 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.461 ' O ' ' HA ' ' A' ' 37' ' ' TYR . 2.0 t80 -137.56 129.39 28.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.221 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.699 ' CG1' HD11 ' A' ' 35' ' ' LEU . 1.6 t -137.53 145.78 28.74 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.286 0 CA-C-O 120.995 0.426 . . . . 0.0 111.645 -179.67 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.702 HG23 ' HB2' ' A' ' 7' ' ' GLN . 86.9 m -138.86 110.73 7.2 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.731 177.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.786 HD12 ' OE1' ' A' ' 122' ' ' GLN . 0.2 OUTLIER -89.31 115.78 27.04 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 178.249 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.0 p -100.58 157.44 16.66 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.691 -178.362 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.488 ' HG ' ' N ' ' A' ' 3' ' ' ILE . 18.3 p -77.48 -1.3 29.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.87 179.092 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -88.76 26.24 1.57 Allowed 'General case' 0 CA--C 1.521 -0.156 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.219 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.425 ' C ' ' HB2' ' A' ' 55' ' ' LEU . . . 57.09 40.32 91.24 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.398 -0.906 . . . . 0.0 111.206 -179.296 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.485 ' N ' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -138.28 144.78 40.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.206 0.527 . . . . 0.0 111.7 -179.334 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.761 HD23 HG21 ' A' ' 94' ' ' ILE . 2.5 tp -129.25 116.97 19.95 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.703 179.025 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.646 HD12 ' O ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -120.07 136.69 54.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.858 0.361 . . . . 0.0 111.399 -179.256 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.588 ' HB3' HG13 ' A' ' 27' ' ' VAL . 0.5 OUTLIER -139.61 136.25 34.16 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.675 179.137 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.501 ' HB3' ' CB ' ' A' ' 43' ' ' ASP . 0.3 OUTLIER -116.49 160.21 37.09 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.925 -179.47 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -48.18 -45.77 24.72 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.725 2.283 . . . . 0.0 112.619 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.2 t -157.11 -170.88 3.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.929 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.705 HG22 HD12 ' A' ' 45' ' ' ILE . 3.8 mp -64.84 -43.33 96.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.843 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -51.8 -27.08 11.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.388 0.613 . . . . 0.0 110.053 179.091 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.764 ' HA ' HG23 ' A' ' 48' ' ' THR . 3.8 m-20 -76.75 -39.9 50.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.806 179.571 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -72.14 -51.12 22.82 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.238 0.542 . . . . 0.0 110.091 179.442 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.705 HD12 HG22 ' A' ' 41' ' ' ILE . 18.9 mt -56.52 -61.29 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.911 179.607 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.6 m80 -73.42 -25.0 60.33 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.859 -1.064 . . . . 0.0 111.677 -179.036 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 73.88 71.1 0.11 Allowed 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 178.854 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.764 HG23 ' HA ' ' A' ' 43' ' ' ASP . 30.2 p -84.86 -152.5 0.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 178.57 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -39.21 -56.17 1.54 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.932 0.396 . . . . 0.0 111.185 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.441 ' HA2' ' CD2' ' A' ' 38' ' ' HIS . . . 59.3 98.89 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.909 -0.663 . . . . 0.0 112.804 179.447 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.19 156.77 35.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.695 0.283 . . . . 0.0 110.764 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.433 ' HA ' ' O ' ' A' ' 35' ' ' LEU . 16.4 pt-20 -158.8 154.62 26.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.755 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.651 ' HE3' ' CE2' ' A' ' 102' ' ' TRP . 7.0 ptp -144.82 151.1 38.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.363 -179.366 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -83.88 120.65 26.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.651 178.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.748 HD13 ' CB ' ' A' ' 122' ' ' GLN . 2.1 mt -84.99 40.21 0.8 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.646 -179.134 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.68 -61.65 1.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.835 0.35 . . . . 0.0 110.846 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.43 39.43 3.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.803 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.563 HG22 ' O ' ' A' ' 95' ' ' VAL . 0.2 OUTLIER -80.51 161.97 24.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.991 -179.899 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -133.28 159.28 40.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.573 179.628 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.3 m . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.842 179.853 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.519 ' CD1' ' CD1' ' A' ' 109' ' ' PHE . 3.4 m-85 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.938 0.399 . . . . 0.0 110.79 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -138.94 137.1 36.13 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 -179.527 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.643 ' CE2' HD11 ' A' ' 94' ' ' ILE . 4.9 p90 -129.5 145.49 51.44 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.992 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.445 HD23 ' HB2' ' A' ' 103' ' ' HIS . 0.7 OUTLIER -105.27 150.83 24.81 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.186 -179.626 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.761 HG21 HD23 ' A' ' 35' ' ' LEU . 7.3 mm -124.33 108.75 21.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.572 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.609 HG22 HG23 ' A' ' 101' ' ' THR . 66.6 t -99.01 122.92 51.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.018 0.437 . . . . 0.0 111.492 -179.7 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.536 ' HA ' HG22 ' A' ' 58' ' ' THR . 13.4 p -88.54 -176.31 5.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.345 179.382 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 27.1 t -85.26 -2.0 57.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.303 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.4 t -112.48 21.07 16.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.91 0.386 . . . . 0.0 111.015 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 80.2 -17.7 9.43 Favored Glycine 0 CA--C 1.52 0.373 0 C-N-CA 120.82 -0.705 . . . . 0.0 113.577 179.37 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -61.54 119.72 9.15 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 117.289 0.544 . . . . 0.0 110.481 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.609 HG23 HG22 ' A' ' 95' ' ' VAL . 4.7 m -114.54 115.43 27.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.671 -179.411 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.651 ' CE2' ' HE3' ' A' ' 53' ' ' MET . 38.8 m0 -93.67 105.5 17.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.38 179.102 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.511 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.7 OUTLIER -95.78 116.12 28.43 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.366 -0.534 . . . . 0.0 110.174 179.091 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.788 ' HB3' HD23 ' A' ' 10' ' ' LEU . 18.4 m-85 -122.18 164.7 17.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.33 0.586 . . . . 0.0 111.783 -179.598 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.447 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 45.1 tt0 -129.56 103.18 6.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.601 178.848 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.607 ' HB3' ' HB2' ' A' ' 112' ' ' ARG . . . -49.64 126.35 13.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.797 -179.061 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.69 -28.3 68.51 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.498 179.509 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.99 143.45 51.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.437 179.567 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.519 ' CD1' ' CD1' ' A' ' 90' ' ' PHE . 23.0 m-85 -57.76 -45.65 85.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.148 -179.567 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -61.88 -40.68 96.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.966 0.412 . . . . 0.0 110.533 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.58 -34.37 78.09 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.033 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.607 ' HB2' ' HB3' ' A' ' 106' ' ' ALA . 0.3 OUTLIER -56.78 -49.45 75.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.877 -179.817 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -65.35 -43.0 92.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.375 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.46 -52.56 64.23 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.751 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 50.6 m95 -56.56 -55.83 28.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.664 178.64 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.603 HG23 ' O ' ' A' ' 112' ' ' ARG . 96.5 t -53.2 -36.58 25.83 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-O 120.914 0.387 . . . . 0.0 110.228 179.371 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -75.86 -30.14 58.8 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.773 178.659 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.461 ' HB2' HG22 ' A' ' 5' ' ' ILE . . . -69.87 -36.62 75.63 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.335 179.32 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.766 HD12 HD21 ' A' ' 29' ' ' LEU . 2.0 mm -68.54 -52.35 37.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.234 179.403 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.908 ' HA ' HD12 ' A' ' 123' ' ' ILE . 5.3 mm-40 -65.28 -32.88 74.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.975 0.417 . . . . 0.0 110.221 179.243 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 29.8 t -65.12 -40.48 94.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.366 179.462 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.786 ' OE1' HD12 ' A' ' 29' ' ' LEU . 1.0 OUTLIER -68.98 -32.71 72.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.397 179.452 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.908 HD12 ' HA ' ' A' ' 120' ' ' GLU . 10.6 mt -72.8 -35.82 50.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.966 179.723 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.415 HD13 ' O ' ' A' ' 120' ' ' GLU . 5.2 mp -68.64 -38.48 80.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.533 179.645 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.36 -27.0 56.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.052 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 39.4 m . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.03 -179.974 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.403 ' CG2' ' HD2' ' A' ' 4' ' ' PRO . 12.8 mm . . . . . 0 N--CA 1.456 -0.152 0 CA-C-O 120.541 0.21 . . . . 0.0 110.546 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.403 ' HD2' ' CG2' ' A' ' 3' ' ' ILE . 26.6 Cg_endo -62.85 127.55 20.8 Favored 'Trans proline' 0 N--CA 1.464 -0.214 0 C-N-CA 122.176 1.917 . . . . 0.0 112.337 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.421 HG22 ' HB2' ' A' ' 118' ' ' ALA . 28.6 mm -91.56 -19.79 6.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.553 -0.748 . . . . 0.0 111.161 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.629 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 4.4 tptt 178.92 110.53 0.03 OUTLIER 'General case' 0 C--O 1.215 -0.74 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.154 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.873 ' HB3' HG23 ' A' ' 28' ' ' THR . 12.4 pt20 -130.9 108.99 10.22 Favored 'General case' 0 C--N 1.311 -1.095 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.459 179.39 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 98.1 p -162.82 -174.99 4.17 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.365 -179.614 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.805 ' O ' HD12 ' A' ' 10' ' ' LEU . 1.0 OUTLIER -80.03 145.0 32.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.106 -179.778 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 1.072 HD22 HG21 ' A' ' 27' ' ' VAL . 8.9 mp -140.24 151.38 45.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.512 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.48 HD23 ' HB2' ' A' ' 22' ' ' TRP . 1.1 tp -88.19 134.96 33.65 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 179.114 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.414 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.1 OUTLIER -121.3 111.1 16.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.946 0.403 . . . . 0.0 111.266 -179.399 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.413 ' CB ' ' HD2' ' A' ' 20' ' ' LYS . 3.7 ptm180 . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.973 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.413 ' HD2' ' CB ' ' A' ' 13' ' ' ARG . 0.8 OUTLIER . . . . . 0 CA--C 1.529 0.164 0 CA-C-O 120.975 0.417 . . . . 0.0 111.223 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -168.81 99.49 0.39 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.868 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.588 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 2.6 m95 -102.8 139.28 38.59 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.217 -178.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.0 mmtt -115.0 157.75 23.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.531 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.5 mmtp -63.02 122.99 17.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.853 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -124.96 -174.04 2.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.795 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.495 ' CE1' ' CG ' ' A' ' 44' ' ' TYR . 46.6 t80 -144.48 115.04 7.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.496 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 1.072 HG21 HD22 ' A' ' 10' ' ' LEU . 1.3 t -119.63 148.54 22.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.846 0.355 . . . . 0.0 111.589 -179.605 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.873 HG23 ' HB3' ' A' ' 7' ' ' GLN . 87.6 m -138.74 111.91 7.99 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.428 178.053 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.689 HD23 ' CZ3' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -89.26 117.1 27.98 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 177.774 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.5 t -105.95 164.91 11.59 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.991 0.424 . . . . 0.0 111.458 -178.663 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.5 t -78.34 1.01 23.27 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.808 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -93.51 26.05 3.19 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 120.744 0.307 . . . . 0.0 111.319 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.411 ' C ' ' HB2' ' A' ' 55' ' ' LEU . . . 55.46 42.29 83.19 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.619 -0.8 . . . . 0.0 111.803 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.426 ' CD1' ' HB2' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -138.82 128.18 24.34 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.159 0.504 . . . . 0.0 111.482 -179.753 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 1.022 HD23 HG21 ' A' ' 94' ' ' ILE . 1.0 OUTLIER -107.92 117.07 33.16 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.599 179.282 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.639 ' N ' HD12 ' A' ' 35' ' ' LEU . 0.4 OUTLIER -113.29 150.52 32.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.915 0.388 . . . . 0.0 111.698 -179.165 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.411 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -151.5 129.34 11.66 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.905 179.395 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.509 ' HB3' ' HB3' ' A' ' 43' ' ' ASP . 0.4 OUTLIER -119.69 161.59 37.03 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.574 -179.635 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -48.07 -43.62 30.18 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.658 2.239 . . . . 0.0 112.882 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -160.47 -167.31 1.86 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.936 0.398 . . . . 0.0 111.173 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.661 HG22 HD12 ' A' ' 45' ' ' ILE . 3.6 mp -66.16 -47.27 85.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.953 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -51.9 -25.64 8.51 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.26 0.552 . . . . 0.0 110.286 179.22 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.509 ' HB3' ' HB3' ' A' ' 38' ' ' HIS . 5.5 m-20 -76.79 -42.31 41.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.57 179.644 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.495 ' CG ' ' CE1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -69.13 -51.01 42.68 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.212 0.53 . . . . 0.0 110.14 179.567 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.661 HD12 HG22 ' A' ' 41' ' ' ILE . 25.4 mt -58.23 -62.19 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.266 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 10.4 m80 -73.52 -24.47 60.15 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.892 -1.049 . . . . 0.0 112.159 -178.535 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.0 t 77.29 74.17 0.07 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.976 0.417 . . . . 0.0 111.228 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.465 ' O ' ' HB3' ' A' ' 43' ' ' ASP . 68.5 p -144.76 117.97 8.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.156 179.288 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 62.8 m80 63.96 88.69 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 -178.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.479 ' HA3' ' CD2' ' A' ' 38' ' ' HIS . . . -141.85 88.97 0.18 Allowed Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.93 -179.515 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.425 ' HB3' ' CZ2' ' A' ' 102' ' ' TRP . 0.0 OUTLIER -68.4 143.13 55.2 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.811 0.338 . . . . 0.0 110.994 -179.559 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.512 ' HB3' HD23 ' A' ' 36' ' ' LEU . 8.7 pt-20 -138.05 150.59 47.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.676 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.707 ' HE3' ' CE2' ' A' ' 102' ' ' TRP . 10.0 ptp -135.76 151.39 50.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.206 -179.697 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -76.91 129.46 36.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.989 179.012 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.753 HD13 ' CB ' ' A' ' 122' ' ' GLN . 9.1 mt -91.39 25.59 2.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.566 -179.3 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 tt -82.95 -48.39 10.73 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.962 0.411 . . . . 0.0 110.651 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 -123.77 55.59 1.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.428 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.731 HG22 ' O ' ' A' ' 95' ' ' VAL . 0.3 OUTLIER -102.31 161.97 13.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.918 -179.681 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -134.33 168.61 18.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.637 179.72 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 20.8 t . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 179.832 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.445 ' CD2' ' HG2' ' A' ' 112' ' ' ARG . 16.5 m-85 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.837 0.351 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -140.4 136.13 32.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 -179.663 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.728 ' CE2' HD11 ' A' ' 94' ' ' ILE . 4.1 p90 -132.96 146.74 52.05 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.741 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -107.52 148.88 28.65 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.645 -179.246 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 1.022 HG21 HD23 ' A' ' 35' ' ' LEU . 10.0 mm -123.07 110.27 25.93 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.785 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.738 HG22 HG23 ' A' ' 101' ' ' THR . 56.6 t -99.63 134.51 38.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.006 0.431 . . . . 0.0 111.613 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.453 ' HB2' ' HE2' ' A' ' 53' ' ' MET . 48.1 t -95.72 -174.09 3.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.528 179.421 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.61 -18.52 44.45 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.315 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.0 t -99.37 24.57 7.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.895 0.378 . . . . 0.0 111.215 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 79.5 -11.35 32.43 Favored Glycine 0 CA--C 1.521 0.438 0 C-N-CA 120.834 -0.698 . . . . 0.0 113.361 179.519 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -57.22 133.92 55.48 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 117.085 0.442 . . . . 0.0 110.675 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.738 HG23 HG22 ' A' ' 95' ' ' VAL . 2.7 m -132.84 114.55 14.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.983 0.421 . . . . 0.0 111.712 -179.559 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.707 ' CE2' ' HE3' ' A' ' 53' ' ' MET . 41.4 m0 -98.48 105.7 17.88 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.875 179.081 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.588 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.8 OUTLIER -91.02 115.95 28.41 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.293 -0.563 . . . . 0.0 110.004 178.838 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.862 ' HB3' HD23 ' A' ' 10' ' ' LEU . 26.1 m-85 -119.33 161.56 20.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.258 0.551 . . . . 0.0 111.96 -179.338 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.48 ' HB2' ' CE3' ' A' ' 22' ' ' TRP . 0.3 OUTLIER -126.57 102.49 7.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.188 -0.914 . . . . 0.0 109.725 178.794 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.6 ' HB3' ' HB3' ' A' ' 112' ' ' ARG . . . -56.73 127.49 31.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.593 -179.299 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.76 -32.86 74.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.587 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.1 m -114.46 147.31 39.51 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.509 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.4 ' O ' ' HG3' ' A' ' 112' ' ' ARG . 10.3 m-30 -66.0 -34.81 78.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.195 -179.725 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.83 -33.45 64.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.985 0.422 . . . . 0.0 110.898 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.19 -38.92 82.5 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.54 -179.512 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.605 ' O ' HG23 ' A' ' 116' ' ' VAL . 0.0 OUTLIER -56.77 -36.83 70.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.697 0.284 . . . . 0.0 110.834 -179.549 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -74.39 -47.01 36.62 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.496 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.467 ' HB1' ' HD3' ' A' ' 6' ' ' LYS . . . -55.04 -48.68 73.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.228 179.459 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.689 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 56.8 m95 -59.06 -54.97 41.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.835 179.078 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 112' ' ' ARG . 75.3 t -55.64 -34.5 35.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.916 0.388 . . . . 0.0 110.199 179.656 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.417 ' HA ' ' CG ' ' A' ' 120' ' ' GLU . 0.1 OUTLIER -80.75 -27.03 36.94 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.486 179.073 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 114' ' ' ALA . . . -72.14 -43.95 63.88 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 121.1 0.476 . . . . 0.0 110.245 179.347 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.671 HG13 HD21 ' A' ' 29' ' ' LEU . 2.5 mp -66.66 -49.62 73.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.121 179.336 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.797 ' HA ' HD12 ' A' ' 123' ' ' ILE . 0.0 OUTLIER -64.81 -32.54 74.28 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 110.113 -0.328 . . . . 0.0 110.113 179.213 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 117' ' ' GLN . 11.5 t -66.44 -45.96 78.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.65 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.753 ' CB ' HD13 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -63.51 -31.77 73.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.496 179.713 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.797 HD12 ' HA ' ' A' ' 120' ' ' GLU . 20.0 mt -70.51 -38.96 75.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 179.583 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.64 -35.04 76.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.817 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.26 -32.39 58.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.029 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.412 ' O ' ' HB2' ' A' ' 31' ' ' SER . 18.6 mm . . . . . 0 N--CA 1.455 -0.198 0 CA-C-O 120.563 0.221 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 31.2 Cg_exo -58.72 125.89 19.62 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.201 1.934 . . . . 0.0 112.246 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.488 ' N ' ' O ' ' A' ' 29' ' ' LEU . 29.0 mm -94.79 -18.73 6.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.506 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.593 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 3.4 tptt 176.77 110.44 0.02 OUTLIER 'General case' 0 C--O 1.22 -0.451 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 179.016 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.763 ' HB2' HG23 ' A' ' 28' ' ' THR . 0.1 OUTLIER -131.89 117.46 18.52 Favored 'General case' 0 C--N 1.314 -0.938 0 C-N-CA 120.952 -0.299 . . . . 0.0 110.467 179.512 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.63 -175.06 0.74 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.12 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.604 ' CD1' HD11 ' A' ' 41' ' ' ILE . 0.8 OUTLIER -79.42 132.41 36.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.871 -179.887 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.875 HD23 ' HB3' ' A' ' 104' ' ' PHE . 4.5 mp -126.74 148.72 49.86 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.688 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.448 ' CB ' ' HB3' ' A' ' 105' ' ' GLU . 1.3 tp -87.47 129.89 34.9 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.264 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.404 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.2 OUTLIER -112.36 112.51 24.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.876 0.369 . . . . 0.0 111.183 -179.688 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.13 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.7 mttt . . . . . 0 C--O 1.232 0.163 0 CA-C-O 121.008 0.433 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -173.47 101.63 0.12 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.94 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.608 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 2.7 m95 -100.35 148.64 24.47 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.273 -179.275 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.8 154.11 33.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.728 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.14 116.14 5.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.687 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.424 ' CE ' ' HA ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -117.82 -174.25 2.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.081 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.421 ' CE1' ' HB2' ' A' ' 44' ' ' TYR . 54.7 t80 -143.47 115.18 8.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.349 -179.615 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.698 HG23 ' HB2' ' A' ' 10' ' ' LEU . 2.3 t -122.98 152.78 27.79 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.324 0 CA-C-O 121.174 0.512 . . . . 0.0 111.919 -179.314 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.763 HG23 ' HB2' ' A' ' 7' ' ' GLN . 89.1 m -138.57 124.7 20.2 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.24 177.124 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.765 HD23 ' CZ3' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -105.47 114.23 28.28 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 178.319 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.1 t -106.11 159.46 16.06 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.055 0.455 . . . . 0.0 111.177 -178.568 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.412 ' HB2' ' O ' ' A' ' 3' ' ' ILE . 1.3 t -74.73 2.63 9.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.21 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -90.02 26.13 1.94 Allowed 'General case' 0 CA--C 1.523 -0.086 0 CA-C-O 120.748 0.308 . . . . 0.0 111.339 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 52.76 40.37 56.46 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.556 -0.83 . . . . 0.0 111.814 -179.667 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.419 ' CE1' ' HB2' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -137.94 132.4 32.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.001 0.429 . . . . 0.0 111.589 -179.588 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.967 HD23 HG21 ' A' ' 94' ' ' ILE . 1.4 tp -116.04 117.07 29.09 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.801 179.151 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.625 ' N ' HD12 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -119.05 150.73 39.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.828 0.347 . . . . 0.0 111.186 -179.478 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.516 ' HB2' HG22 ' A' ' 27' ' ' VAL . 0.4 OUTLIER -154.1 137.04 15.42 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.293 0.568 . . . . 0.0 111.31 179.598 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.491 ' HB3' ' HB3' ' A' ' 43' ' ' ASP . 0.5 OUTLIER -120.07 161.93 36.06 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.429 -179.861 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.424 ' HA ' ' CE ' ' A' ' 25' ' ' LYS . 78.7 Cg_exo -48.26 -34.67 25.22 Favored 'Trans proline' 0 CA--C 1.529 0.273 0 C-N-CA 122.659 2.24 . . . . 0.0 112.788 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.61 -167.72 0.46 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.885 0.374 . . . . 0.0 111.307 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.732 HG22 HD12 ' A' ' 45' ' ' ILE . 4.0 mp -65.3 -47.07 88.62 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.8 p-10 -51.59 -27.15 10.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.376 0.607 . . . . 0.0 109.976 179.19 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.498 ' HB3' ' O ' ' A' ' 48' ' ' THR . 5.4 m-20 -76.81 -42.77 39.22 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.734 179.535 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.421 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 0.4 OUTLIER -67.89 -51.08 52.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.237 0.541 . . . . 0.0 110.025 179.642 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.732 HD12 HG22 ' A' ' 41' ' ' ILE . 30.5 mt -59.13 -62.76 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.33 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 10.8 m80 -73.35 -24.39 60.34 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.904 -1.044 . . . . 0.0 112.369 -178.402 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.5 m 77.96 74.62 0.06 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.029 0.443 . . . . 0.0 111.383 179.536 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.498 ' O ' ' HB3' ' A' ' 43' ' ' ASP . 72.0 p -144.11 116.78 8.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.125 179.224 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 64.17 88.13 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.778 -0.452 . . . . 0.0 109.778 -178.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.463 ' HA3' ' CD2' ' A' ' 38' ' ' HIS . . . -137.28 86.82 0.23 Allowed Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.759 -179.624 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.454 ' HB3' ' CZ2' ' A' ' 102' ' ' TRP . 0.0 OUTLIER -68.38 153.62 43.4 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.85 0.357 . . . . 0.0 111.126 -179.429 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.429 ' HA ' ' O ' ' A' ' 35' ' ' LEU . 2.4 pt-20 -153.37 133.33 13.24 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.375 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.743 ' HE3' ' CE2' ' A' ' 102' ' ' TRP . 12.2 ptp -119.99 150.14 41.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.368 -179.608 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.6 p-10 -78.34 124.71 28.41 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 178.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.652 HD21 HG23 ' A' ' 119' ' ' ILE . 0.5 OUTLIER -86.81 32.26 0.67 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -179.12 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.25 -48.06 10.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.92 0.39 . . . . 0.0 110.487 179.532 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -129.25 58.19 1.62 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.327 179.673 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.63 HG22 ' O ' ' A' ' 95' ' ' VAL . 0.2 OUTLIER -104.15 161.94 13.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.092 -179.606 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.02 163.98 23.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.388 179.562 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' A' ' 93' ' ' LEU . 14.6 m . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.946 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.448 ' CD2' ' HD3' ' A' ' 112' ' ' ARG . 2.8 m-85 . . . . . 0 CA--C 1.528 0.131 0 CA-C-O 120.732 0.301 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -151.33 136.43 17.46 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.531 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.634 ' CE1' HD11 ' A' ' 94' ' ' ILE . 9.5 p90 -131.85 148.17 52.53 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.936 0.398 . . . . 0.0 111.295 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.414 ' O ' ' HA ' ' A' ' 60' ' ' VAL . 1.3 mt -111.04 137.92 48.09 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.695 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.967 HG21 HD23 ' A' ' 35' ' ' LEU . 12.7 mm -113.76 108.93 26.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.116 -179.669 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.654 HG22 HG23 ' A' ' 101' ' ' THR . 84.5 t -99.84 123.73 52.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.876 0.369 . . . . 0.0 111.384 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.531 ' HA ' HG22 ' A' ' 58' ' ' THR . 8.6 t -91.84 171.61 9.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.719 179.63 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 11.0 t -68.85 -13.64 62.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.368 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.9 p -101.63 24.12 10.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.04 0.448 . . . . 0.0 111.191 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 69.45 6.15 53.09 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.924 -0.655 . . . . 0.0 113.103 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.3 115.47 16.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.995 0.397 . . . . 0.0 110.252 179.577 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.654 HG23 HG22 ' A' ' 95' ' ' VAL . 2.7 m -109.83 114.77 28.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.053 0.454 . . . . 0.0 111.637 -179.372 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.743 ' CE2' ' HE3' ' A' ' 53' ' ' MET . 32.3 m0 -100.28 105.58 17.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.444 179.036 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.608 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.8 OUTLIER -91.78 116.43 28.89 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.173 179.105 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.875 ' HB3' HD23 ' A' ' 10' ' ' LEU . 22.9 m-85 -121.28 162.71 19.77 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.533 0.682 . . . . 0.0 112.384 -179.168 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.475 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 1.0 OUTLIER -131.27 100.34 5.15 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 114.828 -1.078 . . . . 0.0 109.607 179.098 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.696 ' HB3' ' HB2' ' A' ' 112' ' ' ARG . . . -51.57 123.1 9.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.685 -179.371 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.64 -31.89 69.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.666 179.564 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -114.57 140.62 48.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.48 179.545 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.437 ' HA ' ' CD2' ' A' ' 90' ' ' PHE . 4.1 m-85 -57.72 -39.73 77.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.19 -179.748 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -72.73 -32.77 65.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.773 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -66.71 -36.84 83.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.091 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.696 ' HB2' ' HB3' ' A' ' 106' ' ' ALA . 0.0 OUTLIER -56.46 -49.45 74.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.867 -179.713 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -64.72 -43.84 92.14 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.4 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.448 ' HB1' ' HD3' ' A' ' 6' ' ' LYS . . . -55.9 -51.47 67.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.136 179.213 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.765 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 54.4 m95 -56.6 -55.74 30.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.665 178.741 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 112' ' ' ARG . 73.2 t -53.25 -37.17 27.58 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-O 120.891 0.377 . . . . 0.0 110.29 179.534 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.28 -29.88 57.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.986 178.836 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.471 ' HB2' HG22 ' A' ' 5' ' ' ILE . . . -69.11 -39.4 78.96 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.259 179.352 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.752 HD12 HD21 ' A' ' 29' ' ' LEU . 1.4 mm -67.29 -52.02 46.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.118 179.435 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.628 ' HA ' HD12 ' A' ' 123' ' ' ILE . 1.0 OUTLIER -65.23 -32.9 74.81 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.312 179.284 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 29.0 t -65.52 -40.86 93.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.681 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.716 ' OE1' HD12 ' A' ' 29' ' ' LEU . 1.6 mp0 -69.68 -32.92 71.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.46 179.664 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.628 HD12 ' HA ' ' A' ' 120' ' ' GLU . 19.0 mt -73.05 -38.43 55.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.88 179.627 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 3.3 tt -66.58 -37.24 84.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.532 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.42 -28.12 56.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.984 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.331 -0.2 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.171 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 10.6 mm . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.557 0.218 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -60.29 126.83 21.11 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.438 2.092 . . . . 0.0 112.165 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.527 HD11 ' CA ' ' A' ' 31' ' ' SER . 4.3 mp -92.81 -19.74 6.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.142 179.687 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.615 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 0.3 OUTLIER -177.2 110.35 0.08 Allowed 'General case' 0 C--O 1.216 -0.693 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.03 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.818 ' HB3' HG23 ' A' ' 28' ' ' THR . 12.4 pt20 -130.74 112.16 12.82 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-O 120.855 0.36 . . . . 0.0 110.554 179.237 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -164.54 -175.18 3.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.294 -179.573 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.54 ' CE1' HD11 ' A' ' 41' ' ' ILE . 3.0 m-85 -86.83 128.69 35.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.201 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.802 HD23 ' HB3' ' A' ' 104' ' ' PHE . 7.1 mp -120.49 155.25 33.98 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.169 179.485 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.482 HD23 ' HB2' ' A' ' 22' ' ' TRP . 1.3 tp -90.36 136.65 32.92 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.082 179.425 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.421 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.1 OUTLIER -123.08 114.35 20.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.207 -179.404 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.409 ' CB ' ' HD2' ' A' ' 20' ' ' LYS . 1.2 ptm180 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.842 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.409 ' HD2' ' CB ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.052 0 CA-C-O 121.05 0.452 . . . . 0.0 111.036 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -168.7 98.91 0.4 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.863 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.516 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 2.1 m95 -102.37 143.0 32.68 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.246 -178.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.2 mtmt -117.04 161.12 19.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.438 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.13 117.43 6.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.846 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.4 tptt -118.7 178.24 4.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.826 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.51 ' CE1' ' CG ' ' A' ' 44' ' ' TYR . 52.0 t80 -135.79 127.81 29.65 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.325 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.659 HG21 HD22 ' A' ' 10' ' ' LEU . 1.4 t -136.82 144.52 32.15 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.294 0 CA-C-O 120.9 0.381 . . . . 0.0 111.83 -179.465 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.818 HG23 ' HB3' ' A' ' 7' ' ' GLN . 96.1 m -138.78 112.72 8.51 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.931 177.736 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.772 ' CD2' HD13 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -89.31 114.45 25.84 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 178.008 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 42.8 t -102.76 162.28 13.05 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 123.516 0.51 . . . . 0.0 111.251 -178.699 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.527 ' CA ' HD11 ' A' ' 5' ' ' ILE . 4.7 t -78.5 3.99 14.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.379 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -91.75 26.08 2.5 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.703 0.287 . . . . 0.0 111.317 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.429 ' C ' HD12 ' A' ' 55' ' ' LEU . . . 53.04 40.63 58.87 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.584 -0.817 . . . . 0.0 111.701 -179.723 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.62 ' N ' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -139.85 123.45 17.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.969 0.414 . . . . 0.0 111.231 -179.384 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 1.026 HD23 HG21 ' A' ' 94' ' ' ILE . 3.1 tp -99.01 117.11 32.8 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 178.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.499 HD23 ' HB3' ' A' ' 52' ' ' GLU . 0.3 OUTLIER -112.37 145.76 39.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.965 0.412 . . . . 0.0 111.6 -179.056 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.478 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -155.07 132.64 11.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.422 179.423 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.498 ' CD2' ' HA2' ' A' ' 50' ' ' GLY . 0.2 OUTLIER -120.29 160.74 42.3 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.972 -179.365 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -52.43 -27.73 32.86 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.733 2.288 . . . . 0.0 112.399 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.47 -174.78 1.24 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.815 0.341 . . . . 0.0 110.971 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.769 HG22 HD12 ' A' ' 45' ' ' ILE . 3.6 mp -63.83 -46.58 93.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -51.77 -28.24 14.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.258 0.551 . . . . 0.0 110.271 179.309 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.438 ' CB ' ' HB3' ' A' ' 38' ' ' HIS . 1.5 m-20 -76.82 -40.13 48.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.762 179.656 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.51 ' CG ' ' CE1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -70.34 -51.22 31.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.185 0.517 . . . . 0.0 110.171 179.483 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.769 HD12 HG22 ' A' ' 41' ' ' ILE . 24.4 mt -58.53 -62.12 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.107 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.6 m80 -73.5 -24.66 60.2 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.845 -1.071 . . . . 0.0 112.185 -178.548 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.46 ' OG ' ' O ' ' A' ' 47' ' ' SER . 4.5 p 78.24 74.96 0.06 Allowed 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 121.213 0.53 . . . . 0.0 111.397 179.528 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 41.9 p -118.43 117.33 28.74 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.909 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER 72.69 -59.15 0.57 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.755 -179.677 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.498 ' HA2' ' CD2' ' A' ' 38' ' ' HIS . . . 47.69 91.09 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.238 0 CA-C-N 115.638 -0.71 . . . . 0.0 113.056 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.444 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -83.57 132.8 34.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.629 0.252 . . . . 0.0 110.715 179.79 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.499 ' HB3' HD23 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -132.58 133.23 43.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.09 0.471 . . . . 0.0 111.063 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.568 ' CE ' ' CG ' ' A' ' 102' ' ' TRP . 0.1 OUTLIER -115.28 118.98 34.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.32 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.466 ' O ' HG23 ' A' ' 58' ' ' THR . 1.2 t70 -56.55 130.8 46.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.838 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.857 HD13 ' CB ' ' A' ' 122' ' ' GLN . 23.5 mt -98.32 33.39 2.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.245 -179.703 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.5 tp -83.14 -51.51 7.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.802 0.334 . . . . 0.0 110.822 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 31.9 mtm-85 -131.78 47.22 2.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.593 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.569 HG22 ' O ' ' A' ' 95' ' ' VAL . 0.6 OUTLIER -89.48 161.94 15.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.204 -179.641 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.7 172.11 11.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.534 179.587 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.766 HG11 HG23 ' A' ' 116' ' ' VAL . 14.3 t . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.016 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.492 ' CE2' ' CD1' ' A' ' 109' ' ' PHE . 7.5 m-85 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.858 0.361 . . . . 0.0 111.179 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -139.85 132.86 29.46 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.762 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.62 ' CE2' HD11 ' A' ' 94' ' ' ILE . 7.6 p90 -123.34 159.8 28.08 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.744 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -120.4 149.18 42.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.02 0.438 . . . . 0.0 111.83 -179.224 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 1.026 HG21 HD23 ' A' ' 35' ' ' LEU . 14.1 mm -120.31 108.63 23.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.217 179.57 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.987 HG22 HG23 ' A' ' 101' ' ' THR . 59.8 t -103.59 135.63 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.981 0.42 . . . . 0.0 111.92 -179.322 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.519 ' HA ' HG22 ' A' ' 58' ' ' THR . 48.0 t -99.13 -173.98 2.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.258 179.226 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 28.7 p -88.0 -0.01 56.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.506 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.0 t -114.33 22.61 13.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.991 0.424 . . . . 0.0 110.896 179.461 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 83.59 -21.15 9.45 Favored Glycine 0 CA--C 1.519 0.317 0 C-N-CA 120.803 -0.713 . . . . 0.0 113.309 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.36 129.07 30.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 117.083 0.441 . . . . 0.0 110.864 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.987 HG23 HG22 ' A' ' 95' ' ' VAL . 2.0 m -131.88 114.84 15.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.885 0.374 . . . . 0.0 111.63 -179.646 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.633 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 35.4 m0 -95.3 105.56 17.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.223 179.025 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.516 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.7 OUTLIER -94.74 116.1 28.32 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.27 -0.572 . . . . 0.0 110.427 179.237 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.802 ' HB3' HD23 ' A' ' 10' ' ' LEU . 20.9 m-85 -121.76 166.01 14.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.212 0.529 . . . . 0.0 111.37 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.48 ' HB3' ' CB ' ' A' ' 11' ' ' LEU . 36.6 tt0 -126.76 107.11 9.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.744 178.814 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -52.5 121.56 7.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.901 -179.135 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.27 -30.61 71.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.416 179.358 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -118.48 147.8 43.25 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.349 179.524 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.492 ' CD1' ' CE2' ' A' ' 90' ' ' PHE . 17.2 m-30 -65.93 -38.35 88.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.284 -179.745 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.71 -37.4 65.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.08 0.467 . . . . 0.0 110.619 179.599 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.51 -35.69 80.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.483 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.62 -40.99 76.32 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.789 0.328 . . . . 0.0 110.937 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.611 ' O ' HG12 ' A' ' 116' ' ' VAL . 26.2 t0 -74.68 -35.57 62.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.616 179.653 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.477 ' HB1' ' HD3' ' A' ' 6' ' ' LYS . . . -64.45 -46.75 81.77 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 179.288 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.743 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 60.4 m95 -60.64 -53.0 62.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.73 178.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.766 HG23 HG11 ' A' ' 60' ' ' VAL . 2.4 p -53.82 -37.63 33.41 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-O 121.053 0.454 . . . . 0.0 110.223 179.409 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.49 ' HA ' ' HG2' ' A' ' 120' ' ' GLU . 4.3 mm-40 -77.09 -32.07 56.42 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.269 179.14 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.523 ' HB2' HG22 ' A' ' 5' ' ' ILE . . . -65.97 -47.3 75.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.819 179.681 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.627 HG13 HD21 ' A' ' 29' ' ' LEU . 2.7 mp -64.38 -48.49 85.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.608 179.685 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.801 ' HA ' HD12 ' A' ' 123' ' ' ILE . 11.1 pt-20 -68.08 -32.78 73.34 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.317 179.387 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 117' ' ' GLN . 7.6 m -66.0 -38.7 89.14 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.998 0.428 . . . . 0.0 110.21 179.386 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.857 ' CB ' HD13 ' A' ' 55' ' ' LEU . 0.9 OUTLIER -69.05 -34.57 75.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.321 179.514 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.801 HD12 ' HA ' ' A' ' 120' ' ' GLU . 20.0 mt -69.38 -36.97 74.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.003 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 2.1 tp -68.6 -41.36 79.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.728 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -74.23 -28.07 61.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.123 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 89.2 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.93 -179.981 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.404 ' CG2' ' HD2' ' A' ' 4' ' ' PRO . 15.8 mt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.547 0.213 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.404 ' HD2' ' CG2' ' A' ' 3' ' ' ILE . 43.6 Cg_endo -68.46 133.75 28.95 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.508 2.139 . . . . 0.0 112.505 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.475 HG22 ' HB2' ' A' ' 118' ' ' ALA . 44.5 mm -95.0 -21.11 5.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.582 179.404 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.6 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 0.4 OUTLIER -179.95 110.24 0.04 OUTLIER 'General case' 0 C--O 1.217 -0.62 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 178.869 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.779 ' HB2' HG23 ' A' ' 28' ' ' THR . 0.1 OUTLIER -128.43 109.84 11.77 Favored 'General case' 0 C--N 1.312 -1.049 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.246 179.63 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.15 -175.05 4.38 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.25 -179.733 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.459 ' CE1' HD11 ' A' ' 41' ' ' ILE . 3.7 m-85 -88.93 125.71 35.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.955 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.77 HD23 ' HB3' ' A' ' 104' ' ' PHE . 7.6 mp -115.6 162.97 16.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.449 179.666 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.494 HD23 ' HB2' ' A' ' 22' ' ' TRP . 1.1 mp -98.66 141.8 31.02 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.227 179.296 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.446 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.0 OUTLIER -129.37 107.53 9.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.821 0.343 . . . . 0.0 111.097 -179.669 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.422 ' HB3' ' CE2' ' A' ' 22' ' ' TRP . 3.7 ptt180 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.106 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.407 ' HD3' ' CZ2' ' A' ' 22' ' ' TRP . 5.2 mttt . . . . . 0 C--O 1.232 0.14 0 CA-C-O 121.058 0.456 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -164.32 98.48 0.82 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.821 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.494 ' CD1' ' N ' ' A' ' 22' ' ' TRP . 3.3 m95 -93.65 131.5 38.89 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.35 -178.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.97 155.49 18.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.392 179.612 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.1 mmtp -63.09 121.3 13.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.982 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.427 ' CD ' ' HA ' ' A' ' 39' ' ' PRO . 17.7 mmtm -122.95 174.39 7.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.77 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.469 ' CD1' ' HB2' ' A' ' 44' ' ' TYR . 54.5 t80 -130.3 114.93 16.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.386 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.65 HG21 HD22 ' A' ' 10' ' ' LEU . 1.7 t -121.82 146.35 27.06 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.259 0 CA-C-O 121.047 0.451 . . . . 0.0 111.97 -179.442 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.779 HG23 ' HB2' ' A' ' 7' ' ' GLN . 86.9 m -138.75 111.45 7.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.641 177.824 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.799 HD12 ' OE1' ' A' ' 122' ' ' GLN . 0.2 OUTLIER -89.31 116.39 27.5 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 178.553 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.6 p -100.19 158.95 15.49 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.928 0.394 . . . . 0.0 111.542 -178.731 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.7 p -77.55 -0.03 24.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.089 179.459 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -90.41 26.16 2.04 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-O 120.832 0.348 . . . . 0.0 111.286 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 55.59 42.26 83.94 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.484 -0.865 . . . . 0.0 111.262 -179.419 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.426 ' CE2' ' HB2' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -137.35 129.77 29.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.935 0.397 . . . . 0.0 111.443 -179.078 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 1.066 HD23 HG21 ' A' ' 94' ' ' ILE . 2.8 tp -109.48 116.94 32.73 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.659 179.079 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.453 ' N ' HD12 ' A' ' 35' ' ' LEU . 0.5 OUTLIER -113.99 144.93 42.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.98 0.419 . . . . 0.0 111.566 -179.215 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.434 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -154.32 134.69 13.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.507 179.442 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.497 ' CD2' ' HA2' ' A' ' 50' ' ' GLY . 0.1 OUTLIER -123.01 159.26 54.75 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.894 -179.276 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.427 ' HA ' ' CD ' ' A' ' 25' ' ' LYS . 75.8 Cg_exo -50.23 -30.41 25.85 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.776 2.317 . . . . 0.0 112.548 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -172.47 -175.18 1.31 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.063 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.897 HG22 HD12 ' A' ' 45' ' ' ILE . 3.4 mp -62.29 -44.49 99.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.019 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -51.82 -29.39 19.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.262 0.553 . . . . 0.0 109.996 179.372 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.437 ' O ' ' HA ' ' A' ' 47' ' ' SER . 1.8 m-20 -76.98 -37.24 55.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.828 179.429 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.469 ' HB2' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -71.58 -51.37 23.72 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.283 0.563 . . . . 0.0 110.288 179.466 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.897 HD12 HG22 ' A' ' 41' ' ' ILE . 15.1 mt -60.29 -61.73 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.097 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.1 m80 -73.52 -24.6 60.17 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.786 -1.097 . . . . 0.0 112.221 -178.637 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.437 ' HA ' ' O ' ' A' ' 43' ' ' ASP . 4.2 t 76.1 73.16 0.08 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.885 0.374 . . . . 0.0 111.297 179.528 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 49.3 p -118.39 116.56 26.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.92 179.622 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 76.39 -60.04 0.49 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.516 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.497 ' HA2' ' CD2' ' A' ' 38' ' ' HIS . . . 45.66 90.32 0.01 OUTLIER Glycine 0 N--CA 1.453 -0.181 0 CA-C-N 115.578 -0.737 . . . . 0.0 113.062 179.744 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.9 133.21 35.3 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.724 0.297 . . . . 0.0 110.785 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.426 ' HB2' ' CE2' ' A' ' 34' ' ' PHE . 5.7 pt-20 -132.93 133.28 43.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.108 0.48 . . . . 0.0 110.916 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.548 ' CE ' ' CG ' ' A' ' 102' ' ' TRP . 0.5 OUTLIER -117.42 119.85 36.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.466 -179.742 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.447 ' O ' HG23 ' A' ' 58' ' ' THR . 2.6 m-20 -62.15 127.82 33.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.542 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.554 HD22 ' HB2' ' A' ' 122' ' ' GLN . 0.4 OUTLIER -97.28 40.33 1.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.437 -179.544 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.36 -46.24 12.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.817 0.341 . . . . 0.0 110.948 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.405 ' NH1' ' HB3' ' A' ' 57' ' ' ARG . 4.1 mmm180 -139.72 36.14 2.0 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.728 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.7 HG22 ' HA ' ' A' ' 96' ' ' SER . 0.9 OUTLIER -77.03 157.15 31.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.142 -179.775 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.02 150.5 42.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.401 179.443 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.466 HG11 HG13 ' A' ' 116' ' ' VAL . 21.2 t . . . . . 0 C--N 1.327 -0.411 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.167 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.451 ' CD2' ' HG2' ' A' ' 112' ' ' ARG . 3.0 m-85 . . . . . 0 CA--C 1.528 0.13 0 CA-C-O 120.824 0.345 . . . . 0.0 111.066 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -144.91 132.4 20.84 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.606 ' CE2' HD11 ' A' ' 94' ' ' ILE . 6.9 p90 -122.0 162.45 21.11 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.962 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -123.77 149.58 45.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.983 0.42 . . . . 0.0 111.541 -179.593 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 1.066 HG21 HD23 ' A' ' 35' ' ' LEU . 9.2 mm -120.55 108.68 23.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.378 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.798 HG22 HG23 ' A' ' 101' ' ' THR . 87.6 t -101.21 130.47 50.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.031 0.444 . . . . 0.0 111.629 -179.608 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.7 ' HA ' HG22 ' A' ' 58' ' ' THR . 0.2 OUTLIER -95.64 -174.06 3.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.258 179.105 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.5 t -82.96 -16.74 46.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.413 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.1 t -102.12 23.87 10.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.896 0.379 . . . . 0.0 111.144 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 82.85 -19.85 10.89 Favored Glycine 0 CA--C 1.52 0.389 0 C-N-CA 120.708 -0.758 . . . . 0.0 113.308 179.434 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -48.57 123.56 6.91 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 117.15 0.475 . . . . 0.0 110.749 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.798 HG23 HG22 ' A' ' 95' ' ' VAL . 1.3 m -125.36 114.56 19.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.027 0.442 . . . . 0.0 111.887 -179.386 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.67 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 33.7 m0 -97.79 106.95 19.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.182 178.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.494 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.8 OUTLIER -97.09 116.54 29.47 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.523 179.255 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.77 ' HB3' HD23 ' A' ' 10' ' ' LEU . 17.9 m-85 -123.72 164.74 18.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.372 0.606 . . . . 0.0 111.896 -179.777 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.467 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 36.4 tt0 -129.8 106.56 8.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.153 -0.931 . . . . 0.0 109.722 178.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.653 ' HB3' ' HB2' ' A' ' 112' ' ' ARG . . . -52.39 127.56 22.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.736 -179.225 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.85 -29.19 70.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.554 179.543 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -125.8 146.86 49.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.38 179.636 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -62.3 -34.27 76.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.155 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.12 -43.71 70.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.126 0.489 . . . . 0.0 110.353 179.558 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.15 -31.54 72.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.618 179.534 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.653 ' HB2' ' HB3' ' A' ' 106' ' ' ALA . 7.1 tpt180 -55.97 -45.19 78.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.909 -179.651 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -74.35 -42.86 58.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.648 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -55.23 -51.42 66.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.869 0.366 . . . . 0.0 110.235 179.355 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.755 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 51.4 m95 -56.49 -56.98 14.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.655 178.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.466 HG13 HG11 ' A' ' 60' ' ' VAL . 55.9 t -53.24 -35.51 23.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-O 120.85 0.357 . . . . 0.0 110.236 179.466 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.87 -31.87 61.73 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.735 178.686 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.475 ' HB2' HG22 ' A' ' 5' ' ' ILE . . . -69.63 -35.24 75.05 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.324 179.273 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.615 ' CD1' HD21 ' A' ' 29' ' ' LEU . 4.7 mm -68.33 -52.13 40.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.417 179.521 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.669 ' HA ' HD12 ' A' ' 123' ' ' ILE . 37.7 mt-10 -67.83 -32.76 73.52 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.29 179.371 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 40.8 t -67.85 -38.6 83.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.263 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.799 ' OE1' HD12 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -69.77 -32.63 71.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.257 179.456 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.669 HD12 ' HA ' ' A' ' 120' ' ' GLU . 14.6 mt -74.09 -36.39 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.811 179.609 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.408 HD23 ' O ' ' A' ' 124' ' ' LEU . 2.5 tt -68.62 -35.56 77.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.609 179.642 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.39 -32.25 58.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.974 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.425 ' O ' HD12 ' A' ' 5' ' ' ILE . 3.1 mp . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.462 0.172 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 14.9 Cg_exo -68.6 127.82 16.14 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.614 2.209 . . . . 0.0 112.502 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.506 ' N ' HD12 ' A' ' 5' ' ' ILE . 1.7 mp -94.02 -20.06 6.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.937 179.376 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.605 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 2.6 tptt -175.39 110.31 0.11 Allowed 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 179.019 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.83 ' HB3' HG23 ' A' ' 28' ' ' THR . 22.8 pt20 -130.65 108.72 10.11 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-O 120.898 0.38 . . . . 0.0 110.508 179.432 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.0 m -162.18 -175.14 4.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.154 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.542 ' CD1' HD11 ' A' ' 41' ' ' ILE . 1.1 m-85 -85.1 136.16 33.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.116 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.792 HD23 ' HB3' ' A' ' 104' ' ' PHE . 6.0 mp -128.12 153.53 46.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.35 179.595 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.446 ' CB ' ' HB3' ' A' ' 105' ' ' GLU . 1.2 mp -89.93 135.93 33.34 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 179.288 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.428 ' HB2' ' HG3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -124.72 119.39 28.82 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.846 0.355 . . . . 0.0 111.238 -179.724 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.407 ' CG ' ' HG2' ' A' ' 20' ' ' LYS . 4.7 ttp180 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.252 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.407 ' HG2' ' CG ' ' A' ' 13' ' ' ARG . 2.3 mttt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.929 0.395 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -166.97 99.72 0.54 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.787 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.487 ' CZ3' ' HB2' ' A' ' 105' ' ' GLU . 4.1 m95 -93.06 139.47 30.51 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.508 -178.743 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.6 161.61 15.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.348 179.545 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.82 108.94 7.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.042 0.449 . . . . 0.0 111.156 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.449 ' CD ' ' HA ' ' A' ' 39' ' ' PRO . 3.6 mmmt -108.13 -179.08 3.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.491 179.576 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.475 ' CD1' ' HB2' ' A' ' 44' ' ' TYR . 55.5 t80 -136.05 114.63 11.85 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.223 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.638 HG21 HD22 ' A' ' 10' ' ' LEU . 1.6 t -119.05 145.26 25.39 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.392 0 CA-C-O 120.995 0.426 . . . . 0.0 111.78 -179.404 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.83 HG23 ' HB3' ' A' ' 7' ' ' GLN . 95.2 m -138.74 111.14 7.47 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.934 177.852 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.78 ' CD2' HD13 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -89.2 114.93 26.3 Favored 'General case' 0 N--CA 1.444 -0.741 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 177.928 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.4 ' C ' HD13 ' A' ' 5' ' ' ILE . 26.7 t -102.35 164.56 11.61 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.988 0.423 . . . . 0.0 111.532 -178.485 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.492 ' HB2' HD11 ' A' ' 5' ' ' ILE . 5.5 t -80.29 2.98 22.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.113 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -92.84 26.0 2.93 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.043 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 53.26 43.26 64.29 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.602 -0.809 . . . . 0.0 111.689 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.527 ' N ' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -139.58 123.65 17.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.026 0.441 . . . . 0.0 111.516 -179.496 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.861 HD23 HG21 ' A' ' 94' ' ' ILE . 2.6 tp -101.43 116.98 34.02 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.648 179.05 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.504 ' N ' HD12 ' A' ' 35' ' ' LEU . 0.5 OUTLIER -113.03 144.03 43.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.054 0.454 . . . . 0.0 111.725 -179.226 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.445 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -152.44 125.21 8.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.34 179.234 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.483 ' HB3' ' CB ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -116.28 161.57 30.73 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.675 -179.411 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.449 ' HA ' ' CD ' ' A' ' 25' ' ' LYS . 83.6 Cg_exo -47.64 -39.95 30.33 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.722 2.282 . . . . 0.0 112.989 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.3 p -166.61 -176.2 3.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.763 0.316 . . . . 0.0 111.116 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.74 HG22 HD12 ' A' ' 45' ' ' ILE . 3.4 mp -58.23 -44.17 87.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.11 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 30.3 m120 -51.81 -27.4 12.28 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.436 0.636 . . . . 0.0 109.923 179.127 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.791 ' HA ' HG23 ' A' ' 48' ' ' THR . 4.0 m-20 -76.95 -38.92 52.39 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.811 179.553 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.475 ' HB2' ' CD1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -72.47 -51.38 20.42 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 121.248 0.547 . . . . 0.0 110.008 179.46 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.74 HD12 HG22 ' A' ' 41' ' ' ILE . 19.4 mt -56.58 -61.3 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.965 179.61 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.3 m80 -73.72 -25.69 60.33 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.743 -178.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 75.02 72.12 0.09 Allowed 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 178.769 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.791 HG23 ' HA ' ' A' ' 43' ' ' ASP . 27.6 p -86.59 -152.91 0.19 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 178.707 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -38.79 -56.37 1.36 Allowed 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.919 0.39 . . . . 0.0 111.375 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.471 ' HA2' ' CD2' ' A' ' 38' ' ' HIS . . . 59.15 99.15 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.713 179.55 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.406 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -80.42 137.78 36.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.771 0.32 . . . . 0.0 110.923 179.775 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -131.95 133.31 44.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.835 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.541 ' CE ' ' CG ' ' A' ' 102' ' ' TRP . 0.5 OUTLIER -117.28 119.32 34.81 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.525 -179.85 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -55.89 129.78 40.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.501 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.787 HD13 ' CB ' ' A' ' 122' ' ' GLN . 44.6 mt -94.91 30.55 2.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.474 -179.421 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.13 -59.27 2.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.835 0.35 . . . . 0.0 110.586 179.737 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.42 55.02 1.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.133 0.492 . . . . 0.0 110.408 179.669 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.422 ' OG1' ' HA ' ' A' ' 55' ' ' LEU . 0.1 OUTLIER -100.9 162.21 13.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.175 -179.725 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -133.01 160.64 36.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.526 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.765 HG11 HG13 ' A' ' 116' ' ' VAL . 21.7 t . . . . . 0 C--N 1.325 -0.461 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.579 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.712 ' HD2' ' HB3' ' A' ' 106' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.824 0.345 . . . . 0.0 110.878 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -150.19 130.69 13.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.65 -179.509 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.658 ' CE1' HD11 ' A' ' 94' ' ' ILE . 12.7 p90 -121.08 147.89 44.92 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.806 0.336 . . . . 0.0 111.368 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.409 HD23 ' HB2' ' A' ' 103' ' ' HIS . 2.7 mt -111.0 143.47 41.64 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.465 -179.418 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.861 HG21 HD23 ' A' ' 35' ' ' LEU . 11.1 mm -114.55 108.71 26.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.229 179.588 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.422 HG22 HG23 ' A' ' 101' ' ' THR . 91.4 t -103.08 128.36 56.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.972 0.415 . . . . 0.0 111.845 -179.351 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.84 -174.05 3.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.093 179.067 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.6 m -88.28 0.01 56.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.549 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.5 t -114.81 23.01 12.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.89 0.376 . . . . 0.0 110.83 179.613 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 82.52 -20.57 8.73 Favored Glycine 0 CA--C 1.52 0.345 0 C-N-CA 120.723 -0.751 . . . . 0.0 113.31 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -53.4 126.81 22.61 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.977 0.389 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.446 ' HA ' ' O ' ' A' ' 94' ' ' ILE . 10.7 m -127.36 114.69 17.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.507 -179.67 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.676 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 37.3 m0 -95.32 105.8 17.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.362 179.212 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.458 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.9 OUTLIER -94.17 116.42 28.83 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.959 179.601 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.792 ' HB3' HD23 ' A' ' 10' ' ' LEU . 16.9 m-85 -126.62 153.82 44.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.274 0.559 . . . . 0.0 111.591 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.487 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 50.2 tt0 -116.07 108.77 16.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.602 178.643 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.712 ' HB3' ' HD2' ' A' ' 90' ' ' PHE . . . -53.45 125.05 16.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.88 -179.011 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -71.83 -31.7 66.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.234 179.179 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -120.52 136.13 54.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.27 179.502 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.542 ' CE1' ' CD1' ' A' ' 90' ' ' PHE . 0.8 OUTLIER -55.05 -51.92 64.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.289 -179.442 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.77 -39.62 85.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.994 0.426 . . . . 0.0 110.675 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.445 ' HG2' ' CD1' ' A' ' 115' ' ' TRP . 2.2 tt0 -65.46 -33.09 75.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.861 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.57 -49.69 74.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.129 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -68.67 -39.16 80.75 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.504 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 118' ' ' ALA . . . -58.74 -50.03 75.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.281 179.38 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.721 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 55.1 m95 -58.64 -54.76 43.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 178.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.765 HG13 HG11 ' A' ' 60' ' ' VAL . 53.3 t -55.02 -35.94 36.68 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.476 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -78.42 -28.14 46.73 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.297 178.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 114' ' ' ALA . . . -67.98 -51.77 43.53 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.298 179.443 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.687 HG13 HD21 ' A' ' 29' ' ' LEU . 3.6 mp -61.46 -46.12 97.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.189 179.327 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.97 -32.66 74.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.973 0.416 . . . . 0.0 110.331 179.281 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 30.7 t -70.31 -45.03 67.09 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.772 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.787 ' CB ' HD13 ' A' ' 55' ' ' LEU . 3.3 mp0 -64.18 -31.41 72.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.436 179.768 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.448 ' HA ' ' O ' ' A' ' 55' ' ' LEU . 34.8 mt -73.55 -36.25 47.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.925 179.767 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 1.5 mp -68.79 -36.35 78.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.703 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.34 -31.23 58.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.047 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.422 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 3.8 mt . . . . . 0 C--O 1.233 0.221 0 CA-C-O 120.53 0.205 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 25.2 Cg_exo -62.26 128.06 22.81 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.386 2.057 . . . . 0.0 112.347 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.435 HG22 ' HB2' ' A' ' 118' ' ' ALA . 40.9 mm -93.84 -19.58 6.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.095 179.694 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.61 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 0.2 OUTLIER 177.08 110.71 0.02 OUTLIER 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 179.086 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.752 ' HB2' HG23 ' A' ' 28' ' ' THR . 20.8 tt0 -129.64 117.0 19.68 Favored 'General case' 0 C--N 1.311 -1.072 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.332 179.537 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 99.0 p -172.29 -175.13 1.35 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.007 0.432 . . . . 0.0 111.193 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.472 ' CE1' HD11 ' A' ' 41' ' ' ILE . 6.6 m-85 -84.64 134.92 34.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.053 -179.768 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.816 HD23 ' HB3' ' A' ' 104' ' ' PHE . 6.5 mp -126.84 151.51 48.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.651 179.745 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.641 HD22 ' OE1' ' A' ' 105' ' ' GLU . 1.1 mp -86.49 139.46 30.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.482 179.703 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.447 ' HB3' ' HD2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -130.16 108.53 10.12 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.326 -179.792 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.436 ' HB3' ' CE2' ' A' ' 22' ' ' TRP . 3.5 ptt85 . . . . . 0 C--N 1.332 -0.19 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.417 ' HD3' ' CZ2' ' A' ' 22' ' ' TRP . 10.1 mttt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 121.002 0.429 . . . . 0.0 111.157 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -164.33 98.66 0.82 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.808 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.501 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 4.1 m95 -92.98 134.76 34.79 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.546 -178.803 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.28 153.56 24.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.109 179.444 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.1 119.56 9.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.019 0.437 . . . . 0.0 110.932 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.447 ' HD2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -117.65 -177.32 3.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.542 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.533 ' CE1' ' CG ' ' A' ' 44' ' ' TYR . 39.2 t80 -138.84 115.1 10.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.346 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.687 HG21 HD22 ' A' ' 10' ' ' LEU . 1.8 t -121.88 147.32 25.97 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.3 0 CA-C-O 120.954 0.407 . . . . 0.0 111.764 -179.274 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.752 HG23 ' HB2' ' A' ' 7' ' ' GLN . 90.4 m -138.68 110.39 7.12 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.08 177.806 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.731 HD21 HG13 ' A' ' 119' ' ' ILE . 0.2 OUTLIER -89.53 115.27 26.82 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 177.606 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 26.6 t -105.48 161.22 14.52 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.022 0.439 . . . . 0.0 111.32 -178.614 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.1 t -76.07 2.1 13.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.195 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -91.08 26.06 2.27 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.745 0.307 . . . . 0.0 111.132 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 52.43 40.67 54.36 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.695 -0.764 . . . . 0.0 111.799 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.481 ' N ' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -138.27 123.5 19.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.067 0.461 . . . . 0.0 111.339 -179.537 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.913 HD23 HG21 ' A' ' 94' ' ' ILE . 2.0 tp -101.25 116.98 34.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.727 179.215 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.538 ' N ' HD12 ' A' ' 35' ' ' LEU . 1.0 OUTLIER -112.3 148.51 34.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.014 0.435 . . . . 0.0 111.585 -179.297 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.513 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -158.83 132.23 7.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.662 179.383 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.496 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 0.1 OUTLIER -120.09 162.99 30.71 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.27 -179.539 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.496 ' HD2' ' HB3' ' A' ' 38' ' ' HIS . 42.7 Cg_endo -68.65 -28.26 31.34 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.299 2.0 . . . . 0.0 112.73 -179.714 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 74.4 m -154.34 163.02 40.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.719 0.295 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.756 HG22 HD12 ' A' ' 45' ' ' ILE . 2.6 mp -56.23 -39.24 58.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.639 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -53.03 -28.54 24.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.296 0.57 . . . . 0.0 109.942 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.461 ' CB ' ' HB3' ' A' ' 38' ' ' HIS . 1.4 m-20 -77.06 -37.49 54.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.684 179.545 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.533 ' CG ' ' CE1' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -71.27 -51.18 25.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.256 0.551 . . . . 0.0 110.201 179.534 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.756 HD12 HG22 ' A' ' 41' ' ' ILE . 24.0 mt -60.05 -62.14 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.169 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.9 m80 -73.54 -24.55 60.14 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.69 -1.141 . . . . 0.0 112.182 -178.565 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.443 ' HA ' ' O ' ' A' ' 43' ' ' ASP . 1.5 m 76.42 73.45 0.08 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.895 0.379 . . . . 0.0 111.299 179.541 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.461 ' O ' ' HB2' ' A' ' 49' ' ' HIS . 44.1 p -120.27 117.74 28.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.618 179.461 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.461 ' HB2' ' O ' ' A' ' 48' ' ' THR . 12.6 m170 71.42 -61.15 0.49 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.23 -179.226 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.459 ' HA2' ' CD2' ' A' ' 38' ' ' HIS . . . 41.5 88.23 0.01 OUTLIER Glycine 0 N--CA 1.454 -0.103 0 CA-C-N 115.505 -0.77 . . . . 0.0 113.091 179.421 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.453 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -68.86 135.79 51.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.782 0.325 . . . . 0.0 110.644 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.503 ' HG3' HD23 ' A' ' 36' ' ' LEU . 1.9 mt-10 -131.82 133.19 44.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.546 ' HE2' ' CE2' ' A' ' 102' ' ' TRP . 0.5 OUTLIER -118.11 118.14 31.09 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.438 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -56.99 131.57 50.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.518 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.666 ' CD2' HG23 ' A' ' 119' ' ' ILE . 1.1 mt -95.99 27.55 3.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.55 -179.251 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.0 mt -83.16 -54.57 4.93 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.783 0.325 . . . . 0.0 110.746 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.29 57.0 1.42 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.655 179.73 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.574 HG22 ' O ' ' A' ' 95' ' ' VAL . 0.4 OUTLIER -105.73 162.07 13.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.037 -179.886 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.91 153.11 50.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.745 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.679 HG11 HG13 ' A' ' 116' ' ' VAL . 15.8 t . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.801 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.579 ' CD1' ' CE1' ' A' ' 109' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 121.116 0.484 . . . . 0.0 111.315 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -140.93 129.88 23.18 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.946 179.65 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.619 ' CE2' HD11 ' A' ' 94' ' ' ILE . 8.2 p90 -124.97 144.8 50.18 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.964 0.412 . . . . 0.0 111.548 -179.193 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.47 HD23 ' HB2' ' A' ' 103' ' ' HIS . 0.7 OUTLIER -109.29 142.44 40.17 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.972 179.906 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.913 HG21 HD23 ' A' ' 35' ' ' LEU . 14.2 mm -110.89 108.49 25.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.355 179.469 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.846 HG22 HG23 ' A' ' 101' ' ' THR . 69.0 t -100.19 131.63 47.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.965 0.412 . . . . 0.0 111.439 -179.587 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.459 ' HA ' HG22 ' A' ' 58' ' ' THR . 0.1 OUTLIER -98.1 -174.04 2.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.161 179.323 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.9 t -83.84 -16.49 44.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.401 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.8 t -102.18 23.46 11.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.862 0.363 . . . . 0.0 111.201 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 82.06 -19.77 9.47 Favored Glycine 0 CA--C 1.52 0.382 0 C-N-CA 120.651 -0.785 . . . . 0.0 113.409 179.528 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.52 119.99 4.69 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 117.038 0.419 . . . . 0.0 110.74 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.846 HG23 HG22 ' A' ' 95' ' ' VAL . 0.8 OUTLIER -121.69 114.86 21.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.968 0.413 . . . . 0.0 111.754 -179.256 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.662 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 33.3 m0 -97.18 105.48 17.63 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.027 178.801 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.501 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.8 OUTLIER -95.03 116.4 28.65 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.696 179.539 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.816 ' HB3' HD23 ' A' ' 10' ' ' LEU . 18.6 m-85 -124.84 160.67 28.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.335 0.588 . . . . 0.0 111.811 -179.748 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.641 ' OE1' HD22 ' A' ' 11' ' ' LEU . 0.7 OUTLIER -125.86 108.61 11.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.644 178.79 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.66 ' HB3' ' HB3' ' A' ' 112' ' ' ARG . . . -53.87 121.17 7.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.572 -179.229 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.21 -34.23 73.36 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.46 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.6 p -117.67 149.31 40.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.424 179.443 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.579 ' CE1' ' CD1' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -62.85 -29.37 70.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.192 -179.582 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -74.17 -32.75 63.22 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.001 0.429 . . . . 0.0 110.967 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.29 -34.77 65.93 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.165 -179.038 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.732 ' O ' HG23 ' A' ' 116' ' ' VAL . 2.3 ppt_? -56.53 -44.44 80.81 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.0 -179.235 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.418 ' OD1' ' NE2' ' A' ' 117' ' ' GLN . 1.4 t0 -74.83 -49.66 19.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.786 0.327 . . . . 0.0 110.865 179.55 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.438 ' HB1' ' HD3' ' A' ' 6' ' ' LYS . . . -52.56 -52.64 54.01 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.556 179.699 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.706 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 53.9 m95 -56.54 -53.33 58.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.942 179.034 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 112' ' ' ARG . 83.4 t -55.53 -35.03 36.56 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-O 120.952 0.406 . . . . 0.0 110.259 179.581 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.418 ' NE2' ' OD1' ' A' ' 113' ' ' ASP . 0.9 OUTLIER -79.16 -29.19 42.9 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.589 179.173 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.435 ' HB2' HG22 ' A' ' 5' ' ' ILE . . . -66.62 -50.72 62.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.058 0.456 . . . . 0.0 110.484 179.583 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.731 HG13 HD21 ' A' ' 29' ' ' LEU . 3.9 mp -64.17 -46.95 92.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.076 179.3 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.439 ' HA ' HD12 ' A' ' 123' ' ' ILE . 2.3 mm-40 -64.87 -32.64 74.44 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.887 0.375 . . . . 0.0 110.288 179.118 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.1 m -69.31 -47.91 63.09 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.647 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.579 ' OE1' HD12 ' A' ' 29' ' ' LEU . 3.0 mp0 -60.81 -32.77 72.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.496 179.658 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.467 ' HA ' ' O ' ' A' ' 55' ' ' LEU . 33.0 mt -72.7 -36.3 52.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.869 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 40.2 tp -68.7 -37.2 79.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.734 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.34 -29.0 57.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.045 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.331 -0.207 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.993 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.41 ' O ' ' HB2' ' A' ' 31' ' ' SER . 20.1 mm . . . . . 0 N--CA 1.455 -0.179 0 CA-C-O 120.543 0.211 . . . . 0.0 110.813 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 38.9 Cg_exo -56.88 125.64 19.66 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.279 1.986 . . . . 0.0 112.409 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.453 HG22 ' HB2' ' A' ' 118' ' ' ALA . 43.3 mm -93.11 -20.7 6.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.273 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.622 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 0.3 OUTLIER 179.08 110.45 0.03 OUTLIER 'General case' 0 C--O 1.218 -0.59 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.081 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.785 ' HB3' HG23 ' A' ' 28' ' ' THR . 8.2 pt20 -129.82 108.91 10.51 Favored 'General case' 0 C--N 1.312 -1.022 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.504 179.679 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.1 m -163.63 -175.15 4.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.288 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.47 ' CE1' HD11 ' A' ' 41' ' ' ILE . 2.5 m-85 -83.23 140.3 32.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.021 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.8 HD23 ' HB3' ' A' ' 104' ' ' PHE . 5.5 mp -133.5 156.6 47.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.543 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.433 ' CD2' ' HB2' ' A' ' 22' ' ' TRP . 1.3 tp -93.83 130.66 39.77 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 179.11 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.416 ' CB ' ' HG3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -116.19 118.76 33.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.001 0.429 . . . . 0.0 111.395 -179.436 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.412 ' CG ' ' HG2' ' A' ' 20' ' ' LYS . 12.7 ttp180 . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.039 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.412 ' HG2' ' CG ' ' A' ' 13' ' ' ARG . 0.7 OUTLIER . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 121.061 0.458 . . . . 0.0 111.215 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -170.59 100.37 0.25 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.899 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.532 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 3.4 m95 -97.58 148.69 23.02 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.325 -179.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.28 158.99 28.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.584 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt -67.54 123.41 20.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.984 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.416 ' HG3' ' CB ' ' A' ' 12' ' ' LYS . 3.6 mttp -124.96 -177.47 3.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.754 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.496 ' CE1' ' CG ' ' A' ' 44' ' ' TYR . 43.7 t80 -137.83 114.78 10.74 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.075 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.661 HG21 HD22 ' A' ' 10' ' ' LEU . 1.7 t -119.66 146.54 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.971 0.415 . . . . 0.0 111.74 -179.307 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.785 HG23 ' HB3' ' A' ' 7' ' ' GLN . 89.7 m -138.71 110.82 7.31 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.054 177.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.822 ' CD2' HD13 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -90.24 116.09 27.96 Favored 'General case' 0 N--CA 1.444 -0.725 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 177.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.2 t -105.43 159.55 15.83 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.034 0.445 . . . . 0.0 111.223 -178.789 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.41 ' HB2' ' O ' ' A' ' 3' ' ' ILE . 1.3 t -74.6 1.99 10.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.224 179.684 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 35.4 p30 -90.27 26.01 2.04 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-O 120.836 0.35 . . . . 0.0 111.245 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 53.73 40.6 64.24 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.609 -0.805 . . . . 0.0 111.819 -179.64 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.541 ' N ' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -137.95 126.14 23.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.974 0.416 . . . . 0.0 111.572 -179.449 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.899 HD23 HG21 ' A' ' 94' ' ' ILE . 3.5 tp -104.31 116.98 33.11 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.636 179.261 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.783 HD23 ' CG ' ' A' ' 52' ' ' GLU . 0.4 OUTLIER -114.2 147.46 38.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.976 0.417 . . . . 0.0 111.843 -179.055 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.453 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.3 OUTLIER -154.94 125.09 6.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.37 179.022 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.475 ' HB3' ' CB ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -115.3 162.02 26.71 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.748 -179.401 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.422 ' HD2' ' HB3' ' A' ' 38' ' ' HIS . 79.8 Cg_exo -48.12 -48.3 16.97 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.71 2.273 . . . . 0.0 112.751 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.0 m -154.15 -171.11 3.76 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.805 0.336 . . . . 0.0 111.171 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.679 HG22 HD12 ' A' ' 45' ' ' ILE . 3.3 mp -64.02 -43.0 97.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.011 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -51.87 -26.91 11.12 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.367 0.603 . . . . 0.0 110.134 179.267 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.74 ' HA ' HG23 ' A' ' 48' ' ' THR . 4.1 m-20 -76.84 -40.89 46.26 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.795 179.569 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.496 ' CG ' ' CE1' ' A' ' 26' ' ' TYR . 0.3 OUTLIER -71.12 -51.24 26.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.244 0.545 . . . . 0.0 110.036 179.41 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.679 HD12 HG22 ' A' ' 41' ' ' ILE . 24.4 mt -56.28 -61.94 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.022 179.587 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 10.4 m80 -73.51 -24.86 60.21 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.856 -1.065 . . . . 0.0 111.776 -178.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.8 m 74.73 71.77 0.1 Allowed 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 178.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.74 HG23 ' HA ' ' A' ' 43' ' ' ASP . 30.7 p -87.01 -153.53 0.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.758 178.716 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -39.21 -56.35 1.52 Allowed 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.978 0.418 . . . . 0.0 111.283 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.462 ' HA2' ' CD2' ' A' ' 38' ' ' HIS . . . 57.8 98.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 121.035 -0.602 . . . . 0.0 112.824 179.391 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.428 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . 1.7 mmtm -74.78 138.62 42.77 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.743 0.306 . . . . 0.0 110.783 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.783 ' CG ' HD23 ' A' ' 36' ' ' LEU . 3.9 mt-10 -132.83 133.13 42.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.016 0.436 . . . . 0.0 110.656 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.572 ' CE ' ' CG ' ' A' ' 102' ' ' TRP . 0.4 OUTLIER -119.04 121.04 38.96 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.398 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -57.0 131.13 48.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.564 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.847 HD13 ' CB ' ' A' ' 122' ' ' GLN . 24.7 mt -95.57 22.8 6.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.548 -179.619 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.08 -57.32 3.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.828 0.347 . . . . 0.0 110.729 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.81 59.1 0.88 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.532 179.685 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.58 HG22 ' O ' ' A' ' 95' ' ' VAL . 0.3 OUTLIER -113.82 161.97 16.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.42 -179.526 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -129.33 152.29 49.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.01 179.475 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.406 ' HA ' ' O ' ' A' ' 93' ' ' LEU . 14.9 p . . . . . 0 C--N 1.326 -0.423 0 CA-C-O 120.756 0.312 . . . . 0.0 111.058 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.579 ' CD1' ' N ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER . . . . . 0 CA--C 1.528 0.106 0 CA-C-O 120.915 0.388 . . . . 0.0 111.017 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -141.53 132.76 26.44 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.532 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.615 ' CE1' HD11 ' A' ' 94' ' ' ILE . 20.3 p90 -122.47 156.02 34.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.816 0.341 . . . . 0.0 111.269 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.406 ' O ' ' HA ' ' A' ' 60' ' ' VAL . 0.6 OUTLIER -119.04 149.54 41.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.298 -179.593 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.899 HG21 HD23 ' A' ' 35' ' ' LEU . 8.0 mm -122.45 108.72 22.29 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.194 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.227 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.941 HG22 HG23 ' A' ' 101' ' ' THR . 58.2 t -102.54 132.71 48.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.107 0.48 . . . . 0.0 112.215 -179.143 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.501 ' HA ' HG22 ' A' ' 58' ' ' THR . 44.2 t -94.21 -174.1 3.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.235 179.029 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 56.0 p -85.83 -11.04 54.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.355 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.0 t -105.33 23.39 13.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.909 0.385 . . . . 0.0 111.171 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 83.99 -21.17 10.2 Favored Glycine 0 CA--C 1.52 0.388 0 C-N-CA 120.742 -0.742 . . . . 0.0 113.401 179.491 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.31 128.72 23.11 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 117.001 0.401 . . . . 0.0 110.836 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.941 HG23 HG22 ' A' ' 95' ' ' VAL . 1.8 m -130.36 114.81 16.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.95 0.405 . . . . 0.0 111.79 -179.675 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.665 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 35.4 m0 -95.34 105.56 17.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.222 178.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.532 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.7 OUTLIER -96.78 116.17 28.69 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.491 179.169 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.8 ' HB3' HD23 ' A' ' 10' ' ' LEU . 19.4 m-85 -122.59 161.01 24.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.249 0.547 . . . . 0.0 111.739 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.459 ' HB2' ' CE3' ' A' ' 22' ' ' TRP . 0.1 OUTLIER -123.34 106.08 10.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.704 178.792 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.503 ' HB3' ' HB2' ' A' ' 112' ' ' ARG . . . -53.41 123.45 12.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.682 -179.195 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.26 -32.68 74.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.501 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.74 137.48 52.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.448 179.538 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.554 ' CE1' ' CD1' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -52.56 -47.8 66.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.257 -179.571 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.11 -36.96 85.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.031 0.444 . . . . 0.0 110.707 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.08 -36.69 77.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.03 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.503 ' HB2' ' HB3' ' A' ' 106' ' ' ALA . 2.9 tmm_? -56.86 -48.29 78.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.017 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.495 ' O ' HG12 ' A' ' 116' ' ' VAL . 4.6 m-20 -70.39 -27.56 64.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.905 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -70.97 -48.7 51.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.041 0.448 . . . . 0.0 109.803 179.136 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.738 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 60.1 m95 -62.25 -48.79 78.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.652 178.841 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.495 HG12 ' O ' ' A' ' 113' ' ' ASP . 3.3 p -57.2 -35.75 49.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 121.02 0.438 . . . . 0.0 110.017 179.391 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -79.48 -32.0 42.48 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.057 179.156 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.453 ' HB2' HG22 ' A' ' 5' ' ' ILE . . . -65.09 -50.66 65.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.319 179.335 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.668 HG13 HD21 ' A' ' 29' ' ' LEU . 2.7 mp -62.69 -48.37 88.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.205 179.28 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.489 ' HA ' HD12 ' A' ' 123' ' ' ILE . 5.7 mm-40 -65.04 -32.76 74.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.914 0.387 . . . . 0.0 110.261 179.312 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.9 m -66.47 -44.64 82.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.623 179.535 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.847 ' CB ' HD13 ' A' ' 55' ' ' LEU . 3.0 mp0 -65.05 -33.76 76.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.381 179.641 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.489 HD12 ' HA ' ' A' ' 120' ' ' GLU . 23.9 mt -73.95 -37.94 48.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.695 179.558 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 6.0 tp -68.73 -35.21 76.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.709 179.67 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -74.23 -35.29 63.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.923 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 27.4 m . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.836 179.812 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.4 ' O ' ' HB2' ' A' ' 31' ' ' SER . 20.2 mm . . . . . 0 N--CA 1.456 -0.127 0 CA-C-O 120.532 0.206 . . . . 0.0 110.811 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo -55.46 126.59 23.0 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.279 1.986 . . . . 0.0 112.37 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.423 ' CG2' ' HB1' ' A' ' 118' ' ' ALA . 36.4 mm -94.61 -20.1 6.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.329 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.611 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 2.3 tptt 178.37 110.74 0.03 OUTLIER 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 179.011 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.75 ' HB2' HG23 ' A' ' 28' ' ' THR . 0.1 OUTLIER -129.44 111.15 12.5 Favored 'General case' 0 C--N 1.313 -1.002 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.364 179.585 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.9 t -164.32 -175.18 3.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.276 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.556 ' CE1' HD11 ' A' ' 41' ' ' ILE . 3.8 m-85 -87.16 129.45 34.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.012 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.775 HD23 ' HB3' ' A' ' 104' ' ' PHE . 6.6 mp -120.77 157.92 28.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.572 179.419 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.452 HD23 ' HB2' ' A' ' 22' ' ' TRP . 1.4 tp -95.41 137.01 35.06 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 179.149 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.404 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.2 OUTLIER -127.75 117.22 21.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.846 0.355 . . . . 0.0 111.35 -179.514 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.8 ptt180 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.858 179.712 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.963 0.411 . . . . 0.0 111.198 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -164.78 97.91 0.76 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.8 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.533 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 2.3 m95 -98.0 141.83 30.47 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.318 -178.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.48 160.35 20.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.379 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.5 mmtp -63.03 120.13 10.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.772 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.425 ' HD2' ' HA ' ' A' ' 39' ' ' PRO . 2.7 tptt -120.14 175.87 5.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.072 -179.76 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.502 ' CE1' ' CG ' ' A' ' 44' ' ' TYR . 50.7 t80 -135.97 115.3 12.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.333 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.633 HG21 HD22 ' A' ' 10' ' ' LEU . 1.6 t -123.84 147.25 28.31 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.324 0 CA-C-O 121.008 0.432 . . . . 0.0 112.142 -179.14 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.75 HG23 ' HB2' ' A' ' 7' ' ' GLN . 87.0 m -138.76 110.54 7.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.974 177.574 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.797 HD12 ' OE1' ' A' ' 122' ' ' GLN . 0.2 OUTLIER -89.37 115.68 27.01 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 178.123 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.2 t -104.98 157.97 16.86 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.931 0.396 . . . . 0.0 111.021 -178.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.4 ' HB2' ' O ' ' A' ' 3' ' ' ILE . 1.5 t -73.74 1.1 11.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.302 179.664 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -88.85 26.21 1.59 Allowed 'General case' 0 CA--C 1.523 -0.094 0 CA-C-O 120.83 0.347 . . . . 0.0 111.427 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 52.81 39.28 55.36 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.591 -0.814 . . . . 0.0 111.686 -179.689 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.424 ' CA ' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -137.08 123.51 20.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.957 0.408 . . . . 0.0 111.263 -179.484 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.969 HD23 HG21 ' A' ' 94' ' ' ILE . 2.8 tp -102.46 117.01 33.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.721 179.157 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.889 HD23 ' HG2' ' A' ' 52' ' ' GLU . 0.4 OUTLIER -112.45 144.9 41.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.96 0.41 . . . . 0.0 111.615 -179.062 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.451 ' CE1' ' CB ' ' A' ' 51' ' ' LYS . 0.2 OUTLIER -153.49 131.81 12.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.451 179.389 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.489 ' CD2' ' HA2' ' A' ' 50' ' ' GLY . 0.2 OUTLIER -120.9 160.02 46.54 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.821 -179.3 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.425 ' HA ' ' HD2' ' A' ' 25' ' ' LYS . 73.0 Cg_exo -49.47 -30.11 20.11 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.729 2.286 . . . . 0.0 112.693 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -176.55 -174.66 0.59 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.815 0.34 . . . . 0.0 111.104 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.781 HG22 HD12 ' A' ' 45' ' ' ILE . 3.8 mp -59.16 -47.74 89.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -51.78 -28.27 14.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.384 0.611 . . . . 0.0 110.197 179.305 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.424 ' HB2' ' CB ' ' A' ' 38' ' ' HIS . 3.7 m-20 -76.93 -40.31 47.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.751 179.59 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.502 ' CG ' ' CE1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -70.06 -51.26 33.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.18 0.514 . . . . 0.0 110.185 179.503 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.781 HD12 HG22 ' A' ' 41' ' ' ILE . 23.0 mt -58.74 -62.35 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.426 -0.807 . . . . 0.0 111.089 179.79 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.7 m80 -73.37 -24.58 60.34 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.827 -1.079 . . . . 0.0 112.29 -178.534 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 m 76.83 74.09 0.07 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.917 0.389 . . . . 0.0 111.188 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 43.2 p -120.69 118.83 31.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.925 179.653 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 77.87 -60.14 0.43 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.519 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.489 ' HA2' ' CD2' ' A' ' 38' ' ' HIS . . . 45.46 89.19 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.235 0 CA-C-N 115.644 -0.707 . . . . 0.0 113.112 179.66 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.451 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -87.12 131.11 34.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.868 0.366 . . . . 0.0 110.827 179.86 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.889 ' HG2' HD23 ' A' ' 36' ' ' LEU . 11.3 mt-10 -130.19 133.22 46.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.102 0.477 . . . . 0.0 110.926 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.531 ' CE ' ' CG ' ' A' ' 102' ' ' TRP . 0.4 OUTLIER -115.87 119.76 37.01 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.272 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -60.03 124.78 21.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.457 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.476 ' O ' ' HA ' ' A' ' 123' ' ' ILE . 0.8 OUTLIER -92.32 41.82 1.08 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.473 -179.556 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.4 tp -83.31 -61.61 1.8 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.787 0.327 . . . . 0.0 110.83 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 70.8 mtt180 -125.14 36.34 4.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.694 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.601 HG22 ' O ' ' A' ' 95' ' ' VAL . 0.7 OUTLIER -75.53 161.44 29.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.83 -179.915 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -130.09 151.64 50.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.502 179.73 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 5.2 m . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 179.923 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.49 ' CZ ' ' CD2' ' A' ' 109' ' ' PHE . 4.1 m-30 . . . . . 0 CA--C 1.528 0.108 0 CA-C-O 120.839 0.352 . . . . 0.0 111.202 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -139.86 129.89 24.94 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.708 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.599 ' CE1' HD11 ' A' ' 94' ' ' ILE . 36.1 p90 -122.95 156.82 33.95 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.858 0.361 . . . . 0.0 110.862 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.401 ' HG ' ' CG ' ' A' ' 103' ' ' HIS . 0.5 OUTLIER -119.18 142.79 47.66 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.353 -179.471 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.969 HG21 HD23 ' A' ' 35' ' ' LEU . 12.6 mm -113.82 108.66 26.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.323 179.675 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.617 HG22 HG23 ' A' ' 101' ' ' THR . 99.3 t -99.84 130.11 49.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.989 0.423 . . . . 0.0 111.727 -179.528 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.594 ' HA ' HG22 ' A' ' 58' ' ' THR . 0.3 OUTLIER -93.21 -174.2 3.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.24 179.273 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.7 t -83.95 -18.54 36.94 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.33 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.4 t -100.71 23.6 10.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.866 0.365 . . . . 0.0 111.133 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 84.68 -21.85 10.25 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 120.635 -0.793 . . . . 0.0 113.236 179.583 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -48.05 125.53 9.26 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.941 0.371 . . . . 0.0 110.859 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.617 HG23 HG22 ' A' ' 95' ' ' VAL . 3.0 m -127.52 114.76 17.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.961 0.41 . . . . 0.0 111.822 -179.406 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.652 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 34.6 m0 -96.69 105.39 17.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.167 178.852 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.533 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.7 OUTLIER -94.98 116.31 28.53 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.517 179.421 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.775 ' HB3' HD23 ' A' ' 10' ' ' LEU . 19.3 m-85 -122.98 165.97 15.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.297 0.57 . . . . 0.0 111.742 -179.696 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.419 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 34.2 tt0 -132.95 101.1 5.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.864 179.137 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.695 ' HB3' ' HB2' ' A' ' 112' ' ' ARG . . . -50.38 126.61 15.46 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.695 -179.248 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.64 -30.66 70.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.703 179.599 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.42 154.39 33.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.699 179.734 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.49 ' CD2' ' CZ ' ' A' ' 90' ' ' PHE . 4.2 m-85 -65.23 -55.19 19.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.056 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.49 -32.79 70.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.742 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.87 -39.23 87.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.695 ' HB2' ' HB3' ' A' ' 106' ' ' ALA . 0.2 OUTLIER -56.57 -49.31 75.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.04 -179.73 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -63.34 -45.83 89.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.654 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 118' ' ' ALA . . . -54.11 -51.67 63.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.857 0.361 . . . . 0.0 110.27 179.426 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.712 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 53.0 m95 -56.82 -54.66 43.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.93 178.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 112' ' ' ARG . 95.9 t -55.08 -35.64 35.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.966 0.412 . . . . 0.0 110.315 179.609 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.23 -27.96 42.48 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.375 179.109 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.423 ' HB1' ' CG2' ' A' ' 5' ' ' ILE . . . -72.88 -38.26 67.03 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.423 179.498 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.673 HG12 HD12 ' A' ' 94' ' ' ILE . 1.9 mp -70.07 -49.02 59.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.212 179.42 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.765 ' HA ' HD12 ' A' ' 123' ' ' ILE . 0.0 OUTLIER -66.82 -32.58 73.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.682 -0.236 . . . . 0.0 110.701 179.458 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 83.4 p -69.93 -38.83 76.32 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-O 120.882 0.372 . . . . 0.0 110.154 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.797 ' OE1' HD12 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -65.83 -33.11 75.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.059 0.457 . . . . 0.0 109.912 179.075 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.765 HD12 ' HA ' ' A' ' 120' ' ' GLU . 18.3 mt -72.25 -37.83 60.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.059 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.2 tp -68.38 -34.53 76.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.38 -35.14 58.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.071 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.898 -179.999 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 4.7 ttt85 . . . . . 0 N--CA 1.488 1.429 0 CA-C-O 120.813 0.339 . . . . 0.0 111.26 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.9 171.21 7.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.962 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.403 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 1.6 mp -130.42 131.59 23.47 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.122 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 37.6 Cg_exo -60.42 130.47 33.94 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.554 2.169 . . . . 0.0 112.249 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.432 HG22 ' HB2' ' A' ' 118' ' ' ALA . 29.4 mm -95.77 -19.83 6.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.142 179.566 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.614 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 0.0 OUTLIER 176.21 110.76 0.02 OUTLIER 'General case' 0 C--O 1.217 -0.654 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 179.007 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.713 ' HB3' HG23 ' A' ' 28' ' ' THR . 1.9 pt20 -130.59 111.73 12.5 Favored 'General case' 0 C--N 1.313 -0.994 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.43 179.535 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -166.21 -175.46 3.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.24 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.62 ' CE1' HD11 ' A' ' 41' ' ' ILE . 0.7 OUTLIER -79.13 149.38 32.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.926 -179.741 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.839 HD23 ' HB3' ' A' ' 104' ' ' PHE . 3.6 mp -144.33 149.76 36.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.642 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.482 HD23 ' HB2' ' A' ' 22' ' ' TRP . 1.1 mp -89.07 137.23 32.51 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.007 179.349 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.433 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.2 OUTLIER -129.49 122.82 30.05 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.94 0.4 . . . . 0.0 111.368 -179.494 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.46 ' HG2' ' CE2' ' A' ' 22' ' ' TRP . 30.6 mtm180 -49.83 148.2 3.27 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.318 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -157.83 70.95 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.727 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 176.54 -91.56 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.537 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -163.82 177.38 8.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.844 0.354 . . . . 0.0 110.937 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.3 t -71.18 -47.32 58.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.955 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.6 mp -64.36 -33.56 76.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.8 t30 -127.66 83.08 2.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.779 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -69.05 155.84 39.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.03 0.443 . . . . 0.0 111.055 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -167.43 99.45 0.5 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.854 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.494 ' CD1' ' N ' ' A' ' 22' ' ' TRP . 3.5 m95 -94.82 136.68 34.84 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.504 -178.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.36 159.26 17.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.47 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -70.46 120.19 15.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.979 0.418 . . . . 0.0 111.122 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.445 ' HD2' ' HA ' ' A' ' 39' ' ' PRO . 44.7 mmtt -122.68 -175.02 3.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.388 179.652 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.456 ' CE1' ' HB2' ' A' ' 44' ' ' TYR . 50.8 t80 -141.28 114.65 8.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.236 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.677 HG21 HD22 ' A' ' 10' ' ' LEU . 1.9 t -116.02 148.23 18.88 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.412 0 CA-C-O 121.052 0.453 . . . . 0.0 111.583 -179.357 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.713 HG23 ' HB3' ' A' ' 7' ' ' GLN . 89.7 m -138.65 111.53 7.78 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.076 178.056 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.732 HD12 ' OE1' ' A' ' 122' ' ' GLN . 0.2 OUTLIER -90.74 114.9 27.36 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 177.861 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.1 t -102.95 162.53 12.85 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.011 0.434 . . . . 0.0 111.392 -178.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 83.1 p -76.94 2.52 14.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.191 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 -92.75 26.04 2.88 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-O 120.758 0.313 . . . . 0.0 111.256 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.448 ' C ' HD12 ' A' ' 55' ' ' LEU . . . 54.3 42.71 74.59 Favored Glycine 0 N--CA 1.448 -0.567 0 C-N-CA 120.577 -0.821 . . . . 0.0 111.672 -179.645 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.585 ' N ' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -138.73 132.73 31.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.075 0.464 . . . . 0.0 111.622 -179.426 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.924 HD23 HG21 ' A' ' 94' ' ' ILE . 1.8 tp -112.6 116.8 30.77 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.749 179.252 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.532 ' N ' HD12 ' A' ' 35' ' ' LEU . 0.3 OUTLIER -116.32 147.66 41.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.952 0.406 . . . . 0.0 111.659 -179.101 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.431 ' CE1' ' HB3' ' A' ' 51' ' ' LYS . 1.0 OUTLIER -149.3 129.36 13.54 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.743 179.373 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.487 ' CD2' ' HA3' ' A' ' 50' ' ' GLY . 0.3 OUTLIER -117.76 161.96 31.42 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.835 -179.318 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.445 ' HA ' ' HD2' ' A' ' 25' ' ' LYS . 76.9 Cg_exo -49.82 -37.7 45.84 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.669 2.246 . . . . 0.0 112.588 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.36 -168.85 1.46 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.81 0.338 . . . . 0.0 111.212 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.659 HG22 HD12 ' A' ' 45' ' ' ILE . 3.4 mp -67.7 -44.55 85.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.882 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -51.95 -26.4 10.38 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.425 0.631 . . . . 0.0 109.938 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.453 ' CB ' ' HB3' ' A' ' 38' ' ' HIS . 3.7 m-20 -76.8 -40.41 48.19 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.832 179.43 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.456 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -70.73 -51.12 29.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.258 0.551 . . . . 0.0 110.149 179.54 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.659 HD12 HG22 ' A' ' 41' ' ' ILE . 24.7 mt -58.0 -62.12 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.087 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.5 m80 -73.46 -24.52 60.23 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.722 -1.127 . . . . 0.0 112.125 -178.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 75.81 68.33 0.07 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.97 0.414 . . . . 0.0 111.567 179.484 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.451 ' O ' ' HB3' ' A' ' 43' ' ' ASP . 43.6 p -141.73 116.57 9.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.143 179.17 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 68.3 88.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 -178.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.487 ' HA3' ' CD2' ' A' ' 38' ' ' HIS . . . -143.98 91.08 0.16 Allowed Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.684 -179.602 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.431 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 4.0 tptt -68.63 144.76 54.38 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.914 0.388 . . . . 0.0 111.212 -179.263 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.444 ' HB3' HD23 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -129.55 137.85 50.99 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.497 179.882 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.537 ' HE2' ' CE2' ' A' ' 102' ' ' TRP . 0.5 OUTLIER -121.72 120.64 35.27 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.519 -179.58 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -57.46 133.76 55.48 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.815 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.867 HD13 ' CB ' ' A' ' 122' ' ' GLN . 46.9 mt -98.31 26.8 5.11 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.344 -179.67 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.02 -46.66 12.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.793 0.33 . . . . 0.0 110.983 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -135.12 57.22 1.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.792 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.655 HG22 ' O ' ' A' ' 95' ' ' VAL . 0.6 OUTLIER -110.67 161.8 15.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.937 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.54 151.41 48.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.221 179.359 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.466 ' HA ' ' O ' ' A' ' 93' ' ' LEU . 13.5 p -130.28 125.05 59.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.028 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.86 159.4 39.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.446 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.402 ' HB ' ' HD2' ' A' ' 63' ' ' PRO . 9.1 m -78.98 157.22 76.43 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.048 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.402 ' HD2' ' HB ' ' A' ' 62' ' ' VAL . 37.4 Cg_endo -65.88 70.64 0.37 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.654 2.236 . . . . 0.0 112.472 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.89 61.38 7.16 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.784 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -137.44 154.2 49.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.795 0.331 . . . . 0.0 110.972 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.9 mmp_? -58.15 159.18 11.65 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.777 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -53.73 118.64 5.14 Favored 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.634 2.223 . . . . 0.0 112.101 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.22 96.71 0.72 Allowed 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.522 2.148 . . . . 0.0 112.387 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.1 mmt180 -141.55 75.53 1.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.763 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.11 -38.23 75.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.232 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.8 mt -61.87 -35.04 65.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.91 124.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.018 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.67 17.57 10.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.689 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 12.0 t80 61.07 154.93 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.874 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 111.82 141.97 8.62 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.478 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.86 105.84 0.14 Allowed 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.544 2.163 . . . . 0.0 112.344 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.0 p -82.75 179.97 7.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.01 -32.43 59.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.007 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 26.5 t -168.92 83.76 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.95 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -71.6 67.14 1.02 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.575 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -75.4 177.82 6.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.879 0.371 . . . . 0.0 110.864 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 60.05 101.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.995 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -123.08 -41.74 0.43 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.449 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -96.02 -34.25 11.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.811 0.339 . . . . 0.0 110.961 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -122.84 160.43 26.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.071 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -159.48 129.71 5.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.923 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -61.21 -44.12 97.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 57.59 33.41 23.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 26.3 m-20 -87.83 103.91 16.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.483 ' CE1' ' CE2' ' A' ' 109' ' ' PHE . 26.0 m-85 -94.45 104.03 16.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.018 0.437 . . . . 0.0 111.442 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.7 mp0 -147.72 129.8 15.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.154 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.617 ' CE2' HD11 ' A' ' 94' ' ' ILE . 7.5 p90 -122.68 152.97 40.02 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.964 0.412 . . . . 0.0 111.396 -179.214 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.466 ' O ' ' HA ' ' A' ' 60' ' ' VAL . 3.2 mp -116.56 145.12 43.58 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.302 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.924 HG21 HD23 ' A' ' 35' ' ' LEU . 6.0 mm -114.44 108.45 25.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.949 179.319 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.882 HG22 HG23 ' A' ' 101' ' ' THR . 52.8 t -97.26 129.27 47.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.155 0.502 . . . . 0.0 112.118 -179.109 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.521 ' HA ' HG22 ' A' ' 58' ' ' THR . 0.2 OUTLIER -92.67 -173.91 3.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.222 179.277 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.7 -18.62 40.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.415 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.0 t -100.26 23.42 10.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.895 0.379 . . . . 0.0 111.261 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 82.85 -20.6 9.15 Favored Glycine 0 CA--C 1.519 0.329 0 C-N-CA 120.591 -0.814 . . . . 0.0 113.278 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -51.88 120.3 5.17 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 117.051 0.425 . . . . 0.0 110.704 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.882 HG23 HG22 ' A' ' 95' ' ' VAL . 1.4 m -120.63 114.62 21.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.017 0.437 . . . . 0.0 111.872 -179.351 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.685 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 38.7 m0 -90.04 105.68 17.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.208 178.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.491 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.8 OUTLIER -97.37 116.32 29.36 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.406 -0.518 . . . . 0.0 110.692 179.545 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.839 ' HB3' HD23 ' A' ' 10' ' ' LEU . 18.0 m-85 -123.31 157.85 32.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.286 0.565 . . . . 0.0 111.673 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.474 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -123.44 101.72 7.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.668 178.734 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.618 ' HB3' ' HB3' ' A' ' 112' ' ' ARG . . . -54.56 131.75 43.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.726 -179.209 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -69.32 -32.15 71.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.434 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.04 145.32 38.71 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.511 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.483 ' CE2' ' CE1' ' A' ' 90' ' ' PHE . 7.7 m-30 -66.07 -38.87 89.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.187 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -73.92 -35.23 64.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.069 0.462 . . . . 0.0 110.865 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.43 -41.06 98.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.336 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.618 ' HB3' ' HB3' ' A' ' 106' ' ' ALA . 0.0 OUTLIER -56.59 -35.21 67.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.756 0.313 . . . . 0.0 110.911 -179.613 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -72.7 -48.35 39.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.511 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.466 ' HB1' ' HD3' ' A' ' 6' ' ' LYS . . . -55.68 -46.55 77.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.179 179.421 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.717 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 56.0 m95 -59.88 -55.19 37.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.918 179.058 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 42.0 t -55.57 -34.16 34.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.964 0.411 . . . . 0.0 110.264 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -79.87 -29.89 40.13 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.202 179.177 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.432 ' HB2' HG22 ' A' ' 5' ' ' ILE . . . -69.48 -45.1 69.77 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.237 179.525 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.688 HG13 HD21 ' A' ' 29' ' ' LEU . 2.4 mp -65.5 -48.83 81.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.254 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.623 ' HA ' HD12 ' A' ' 123' ' ' ILE . 0.6 OUTLIER -66.03 -32.76 74.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.91 0.386 . . . . 0.0 110.198 179.095 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 28.0 t -67.11 -45.29 77.64 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.348 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.867 ' CB ' HD13 ' A' ' 55' ' ' LEU . 1.5 mp0 -61.99 -34.36 76.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.138 179.393 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.623 HD12 ' HA ' ' A' ' 120' ' ' GLU . 16.5 mt -73.78 -35.47 43.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.778 179.472 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.75 -34.31 75.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.672 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -75.73 -36.56 59.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.005 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.74 -29.82 59.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.8 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 12.7 mt -70.3 -47.52 60.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.272 -0.871 . . . . 0.0 110.914 -179.987 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.796 0.331 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.725 ' O ' HD13 ' A' ' 3' ' ' ILE . . . -100.95 161.82 13.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.116 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.725 HD13 ' O ' ' A' ' 2' ' ' ALA . 20.3 mm -132.85 132.68 22.64 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.787 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.57 127.37 25.77 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.357 2.038 . . . . 0.0 112.48 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.518 ' N ' ' O ' ' A' ' 29' ' ' LEU . 16.6 mm -93.89 -17.0 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.493 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.626 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 5.4 tptt 173.32 110.96 0.02 OUTLIER 'General case' 0 C--O 1.217 -0.608 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 179.246 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.981 ' HG2' HG23 ' A' ' 28' ' ' THR . 5.3 mt-30 -125.14 113.73 18.1 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 178.519 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -160.7 -176.81 5.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.03 0.443 . . . . 0.0 111.579 -179.554 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.679 ' CE1' HD11 ' A' ' 41' ' ' ILE . 1.3 m-85 -93.72 123.65 37.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.776 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.848 HD23 ' HB3' ' A' ' 104' ' ' PHE . 8.7 mp -115.15 154.33 29.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.877 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.521 HD23 ' HB2' ' A' ' 22' ' ' TRP . 1.2 tp -91.49 143.88 26.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.234 179.353 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.407 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.0 OUTLIER -136.5 111.97 9.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.833 0.349 . . . . 0.0 111.221 -179.751 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.422 ' HA ' ' HA ' ' A' ' 22' ' ' TRP . 11.5 ptt85 -55.71 148.19 16.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.105 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.6 t -90.36 -49.1 6.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -174.09 170.73 43.88 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.54 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 63.64 135.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.747 0.308 . . . . 0.0 111.033 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.2 t -81.23 -57.14 3.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.1 mt -64.68 -34.35 78.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.788 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -107.52 47.2 0.9 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.668 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.498 ' HD3' ' CZ2' ' A' ' 22' ' ' TRP . 5.5 mttt -56.78 158.45 4.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.216 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -158.68 96.3 1.37 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.578 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.521 ' HB2' HD23 ' A' ' 11' ' ' LEU . 2.8 m95 -90.22 136.99 32.71 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.426 -178.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -110.5 162.73 14.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.471 179.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -68.67 123.17 20.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.029 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.455 ' O ' ' HA ' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -126.84 173.16 9.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.46 179.827 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.444 ' CE1' ' HB2' ' A' ' 44' ' ' TYR . 54.0 t80 -131.8 114.91 15.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.597 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.742 HG21 HD22 ' A' ' 10' ' ' LEU . 1.7 t -115.44 147.8 18.59 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.372 0 CA-C-O 120.808 0.337 . . . . 0.0 111.609 -179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.981 HG23 ' HG2' ' A' ' 7' ' ' GLN . 51.9 m -138.67 110.72 7.28 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.072 178.173 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.729 HD23 ' CZ3' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -90.3 117.12 28.78 Favored 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 177.587 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.6 t -108.98 161.46 15.13 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.961 0.41 . . . . 0.0 111.195 -178.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.409 ' HB2' ' O ' ' A' ' 3' ' ' ILE . 1.8 t -76.56 2.05 15.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.213 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -90.93 25.92 2.26 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-O 120.82 0.343 . . . . 0.0 111.206 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.424 ' HA2' ' HB3' ' A' ' 122' ' ' GLN . . . 53.14 40.4 59.37 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.057 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.419 ' CD1' ' HB3' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -139.23 125.14 19.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.068 0.461 . . . . 0.0 111.656 -179.622 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.84 HD23 HG21 ' A' ' 94' ' ' ILE . 2.0 tp -105.7 116.92 32.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.631 179.046 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.716 HD23 ' HG2' ' A' ' 52' ' ' GLU . 0.4 OUTLIER -112.68 146.56 38.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.918 0.389 . . . . 0.0 111.664 -179.008 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.429 ' CE1' ' HB2' ' A' ' 51' ' ' LYS . 0.5 OUTLIER -148.98 125.97 11.29 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.793 179.212 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.496 ' CD2' ' HA3' ' A' ' 50' ' ' GLY . 0.3 OUTLIER -118.26 162.52 29.59 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 115.399 -0.818 . . . . 0.0 110.695 -179.268 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -50.48 -38.27 53.52 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.547 2.165 . . . . 0.0 112.722 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 59.2 p -164.27 -169.77 1.9 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.871 0.367 . . . . 0.0 111.25 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.679 HD11 ' CE1' ' A' ' 9' ' ' PHE . 3.5 mp -67.12 -44.51 87.96 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.932 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -51.86 -26.38 9.93 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.441 0.639 . . . . 0.0 109.995 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.479 ' HB3' ' O ' ' A' ' 48' ' ' THR . 13.0 m-20 -76.82 -41.92 42.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.739 179.484 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.444 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 0.5 OUTLIER -68.68 -51.21 44.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.249 0.547 . . . . 0.0 110.123 179.464 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.657 HD12 HG22 ' A' ' 41' ' ' ILE . 29.8 mt -58.6 -62.5 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.267 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -73.59 -24.31 60.05 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.809 -1.087 . . . . 0.0 112.324 -178.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 76.72 73.82 0.08 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.039 0.447 . . . . 0.0 111.198 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.479 ' O ' ' HB3' ' A' ' 43' ' ' ASP . 50.3 p -145.94 117.91 8.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.113 179.283 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 4.7 m80 64.32 88.35 0.1 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 -178.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.496 ' HA3' ' CD2' ' A' ' 38' ' ' HIS . . . -143.32 90.39 0.17 Allowed Glycine 0 N--CA 1.448 -0.548 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.659 -179.548 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.429 ' HB2' ' CE1' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -68.59 144.48 54.51 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.877 0.37 . . . . 0.0 111.182 -179.238 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.716 ' HG2' HD23 ' A' ' 36' ' ' LEU . 50.6 mt-10 -128.29 133.16 48.69 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.383 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.531 ' CE ' ' CG ' ' A' ' 102' ' ' TRP . 0.5 OUTLIER -116.71 122.62 45.03 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.587 -179.768 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -56.47 132.3 50.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.655 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.764 HD13 ' CB ' ' A' ' 122' ' ' GLN . 13.7 mt -96.04 24.68 5.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.358 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 tt -83.29 -61.46 1.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.238 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.2 ttm180 -117.67 43.76 2.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.182 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.541 HG22 ' O ' ' A' ' 95' ' ' VAL . 0.3 OUTLIER -94.9 162.08 13.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.947 0.403 . . . . 0.0 110.815 179.831 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -131.66 156.72 45.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.627 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.8 m -114.86 114.75 47.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.633 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.34 161.33 13.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.066 0.46 . . . . 0.0 111.337 -179.282 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 23.6 t -143.97 136.07 13.17 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.824 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.74 61.41 3.7 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.42 2.08 . . . . 0.0 112.397 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.07 107.68 0.57 Allowed Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.585 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.3 173.28 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.628 0.251 . . . . 0.0 110.933 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.0 mpt_? 62.45 172.41 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.445 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_exo -52.25 118.35 4.5 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.306 2.004 . . . . 0.0 112.17 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.41 ' HG3' ' O ' ' A' ' 89' ' ' ASN . 86.0 Cg_endo -86.41 171.72 7.37 Favored 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 122.693 2.262 . . . . 0.0 112.404 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 23.7 mmm180 -136.48 143.28 43.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.72 -33.62 74.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.112 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 28.0 mt -77.85 -29.72 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.66 115.22 7.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.974 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.67 17.58 10.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.01 0.433 . . . . 0.0 111.687 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -153.85 95.82 1.91 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.951 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 172.4 150.94 7.57 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.51 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.26 164.82 1.13 Allowed 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.615 2.21 . . . . 0.0 112.346 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -137.66 81.81 1.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.839 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -90.24 -40.04 12.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.196 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.2 m 62.94 142.68 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.935 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 170.17 112.18 0.26 Allowed Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.548 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.1 m 59.83 96.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.802 0.334 . . . . 0.0 110.988 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -160.71 161.96 32.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -110.42 -38.92 1.55 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.457 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -135.92 80.12 1.81 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.826 0.346 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -140.21 -177.15 4.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.091 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 59.75 62.07 1.79 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.029 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -60.85 -30.93 70.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.676 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.439 ' HB3' ' CZ ' ' A' ' 109' ' ' PHE . 0.8 OUTLIER 60.14 77.06 0.34 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.117 179.762 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.41 ' O ' ' HG3' ' A' ' 68' ' ' PRO . 0.8 OUTLIER -106.33 106.29 16.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.482 179.584 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.47 ' CE1' ' CE2' ' A' ' 109' ' ' PHE . 2.7 m-85 -94.62 104.03 15.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.464 -179.411 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -133.28 130.1 38.49 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.665 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.613 ' CE1' HD11 ' A' ' 94' ' ' ILE . 13.0 p90 -124.26 153.18 42.06 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.71 0.29 . . . . 0.0 110.965 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.503 ' O ' HD13 ' A' ' 94' ' ' ILE . 1.3 mp -115.88 159.56 21.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.071 0.463 . . . . 0.0 111.824 -179.296 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.84 HG21 HD23 ' A' ' 35' ' ' LEU . 11.7 mm -130.26 108.57 16.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.291 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 1.01 HG22 HG23 ' A' ' 101' ' ' THR . 57.7 t -102.1 133.21 46.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.799 0.333 . . . . 0.0 111.785 -179.496 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.502 ' HA ' HG22 ' A' ' 58' ' ' THR . 0.0 OUTLIER -98.85 -174.14 2.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.514 179.33 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 48.2 t -85.29 -3.6 58.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.55 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.6 t -110.56 21.39 16.66 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.827 0.346 . . . . 0.0 111.083 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 81.88 -19.93 8.84 Favored Glycine 0 CA--C 1.52 0.345 0 C-N-CA 120.812 -0.709 . . . . 0.0 113.425 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.83 126.62 26.46 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 117.01 0.405 . . . . 0.0 110.728 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' THR . . . . . 1.01 HG23 HG22 ' A' ' 95' ' ' VAL . 1.4 m -126.07 114.68 18.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.482 -179.662 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.625 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 36.7 m0 -93.42 105.44 17.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.168 179.052 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.513 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.7 OUTLIER -94.63 116.13 28.39 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.514 179.26 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.848 ' HB3' HD23 ' A' ' 10' ' ' LEU . 29.5 m-85 -122.12 164.84 17.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.276 0.56 . . . . 0.0 111.78 -179.699 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.455 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -128.16 103.6 7.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.552 178.784 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.547 ' HB3' ' HB3' ' A' ' 112' ' ' ARG . . . -54.04 123.59 13.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.618 -179.197 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.44 -29.18 67.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.764 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -117.79 150.63 38.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.603 179.612 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.47 ' CE2' ' CE1' ' A' ' 90' ' ' PHE . 8.0 m-30 -66.11 -41.34 90.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -73.79 -32.6 63.83 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.986 0.422 . . . . 0.0 110.542 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.19 -40.53 85.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.458 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.547 ' HB3' ' HB3' ' A' ' 106' ' ' ALA . 0.0 OUTLIER -57.05 -34.13 67.93 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.767 0.318 . . . . 0.0 110.865 -179.731 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.525 ' O ' HG12 ' A' ' 116' ' ' VAL . 0.5 OUTLIER -74.76 -42.56 58.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.806 179.707 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.483 ' HB1' ' HD3' ' A' ' 6' ' ' LYS . . . -61.05 -46.53 90.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.92 0.39 . . . . 0.0 110.037 179.438 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.729 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 59.2 m95 -63.48 -51.79 64.09 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.764 178.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.525 HG12 ' O ' ' A' ' 113' ' ' ASP . 1.1 p -57.63 -32.44 42.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.884 0.373 . . . . 0.0 110.217 179.426 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -82.51 -30.92 29.5 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.196 179.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.445 ' HB1' ' CG2' ' A' ' 5' ' ' ILE . . . -67.46 -47.45 70.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.018 179.274 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.684 HG13 HD21 ' A' ' 29' ' ' LEU . 2.4 mp -64.98 -51.15 70.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.481 -0.782 . . . . 0.0 109.635 178.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.627 ' HA ' HD12 ' A' ' 123' ' ' ILE . 6.0 mm-40 -61.53 -32.7 72.77 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.117 179.005 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.4 m -63.96 -49.5 72.3 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.425 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.764 ' CB ' HD13 ' A' ' 55' ' ' LEU . 92.9 mm-40 -62.14 -39.67 93.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.551 179.637 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.627 HD12 ' HA ' ' A' ' 120' ' ' GLU . 14.3 mt -66.53 -41.18 88.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.88 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 17.1 tp -60.7 -36.3 78.46 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.675 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.31 -28.38 56.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.094 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.7 m -86.31 -34.94 20.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.272 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.411 HD22 ' HA ' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -65.84 -32.48 74.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.839 0.352 . . . . 0.0 111.042 -179.84 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.987 179.984 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.819 0.342 . . . . 0.0 111.195 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.55 163.39 18.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.167 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.439 ' O ' ' HB2' ' A' ' 31' ' ' SER . 17.9 mt -134.62 134.92 22.66 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.816 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -60.63 124.77 15.72 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.225 1.95 . . . . 0.0 112.391 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.507 ' N ' ' O ' ' A' ' 29' ' ' LEU . 25.7 mm -93.82 -19.82 6.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.4 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.612 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 5.1 tptt 177.72 110.96 0.03 OUTLIER 'General case' 0 C--O 1.218 -0.582 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 179.154 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.647 ' HB2' HG23 ' A' ' 28' ' ' THR . 0.0 OUTLIER -127.86 113.5 16.0 Favored 'General case' 0 C--N 1.313 -0.998 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.469 179.673 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 43.8 p -168.24 -177.15 3.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.616 ' CE1' HD11 ' A' ' 41' ' ' ILE . 3.2 m-85 -84.32 143.02 29.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.024 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.803 HD23 ' HB3' ' A' ' 104' ' ' PHE . 6.1 mp -134.76 155.19 51.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.476 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.492 HD23 ' HB2' ' A' ' 22' ' ' TRP . 1.1 tp -90.94 135.74 33.54 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.045 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.421 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.1 OUTLIER -125.97 112.91 16.47 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.862 0.363 . . . . 0.0 111.306 -179.412 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.79 147.96 26.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.844 179.71 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.16 101.08 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.932 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 129.19 115.02 1.79 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.643 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 62.2 149.74 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.808 0.337 . . . . 0.0 111.025 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.52 -56.55 3.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 mp -69.53 -41.06 76.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.831 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -94.05 84.07 4.43 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.604 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.95 165.07 1.34 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.139 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -164.97 97.96 0.74 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.912 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.509 ' CD1' ' N ' ' A' ' 22' ' ' TRP . 2.8 m95 -97.23 136.03 38.32 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.394 -178.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.04 156.57 22.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.674 179.734 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.9 mmtp -64.26 119.12 9.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.116 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.42 ' HG3' ' HB2' ' A' ' 12' ' ' LYS . 35.8 mmtm -119.47 -178.34 3.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.748 179.757 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.48 ' O ' ' HA ' ' A' ' 37' ' ' TYR . 45.4 t80 -135.34 114.73 12.5 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.146 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.677 HG21 HD22 ' A' ' 10' ' ' LEU . 1.6 t -120.03 145.9 25.63 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.376 0 CA-C-O 120.961 0.41 . . . . 0.0 111.999 -179.342 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.652 ' O ' HD12 ' A' ' 36' ' ' LEU . 89.9 m -138.72 110.52 7.17 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.053 177.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.734 ' CD2' HD13 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -89.42 116.1 27.35 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 177.809 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.0 t -107.09 158.28 17.19 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.95 0.405 . . . . 0.0 111.289 -178.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.439 ' HB2' ' O ' ' A' ' 3' ' ' ILE . 1.1 t -74.76 2.32 10.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.141 179.521 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -90.25 26.05 2.03 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.857 0.361 . . . . 0.0 111.208 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.417 ' HA2' ' HB3' ' A' ' 122' ' ' GLN . . . 53.52 40.75 62.86 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.696 -0.764 . . . . 0.0 111.845 -179.696 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.462 ' N ' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -139.34 123.59 18.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.962 0.41 . . . . 0.0 111.726 -179.427 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.921 HD23 HG21 ' A' ' 94' ' ' ILE . 3.0 tp -103.01 117.09 33.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.542 178.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.652 HD12 ' O ' ' A' ' 28' ' ' THR . 0.4 OUTLIER -113.71 144.67 42.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.105 0.478 . . . . 0.0 111.957 -178.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.48 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.3 OUTLIER -150.83 125.0 9.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.123 179.024 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.539 ' HB3' ' CB ' ' A' ' 43' ' ' ASP . 0.6 OUTLIER -113.65 159.44 35.59 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.115 -179.014 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -49.1 -29.64 16.67 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.759 2.306 . . . . 0.0 113.123 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.87 -170.75 0.33 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.832 0.348 . . . . 0.0 111.409 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.77 HG22 HD12 ' A' ' 45' ' ' ILE . 3.4 mp -64.76 -43.73 96.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.073 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -51.74 -27.83 13.25 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.402 0.62 . . . . 0.0 109.88 179.211 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.774 ' HA ' HG23 ' A' ' 48' ' ' THR . 3.8 m-20 -76.91 -39.6 50.26 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.839 179.426 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -71.53 -51.24 24.62 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.261 0.553 . . . . 0.0 110.054 179.612 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.77 HD12 HG22 ' A' ' 41' ' ' ILE . 19.3 mt -57.31 -61.64 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.901 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.8 m80 -73.44 -24.98 60.31 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.829 -1.078 . . . . 0.0 111.831 -178.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.4 t 74.7 72.04 0.1 Allowed 'General case' 0 C--O 1.232 0.155 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.774 HG23 ' HA ' ' A' ' 43' ' ' ASP . 31.1 p -87.22 -154.43 0.24 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.811 178.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -40.77 -55.85 2.32 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.93 0.395 . . . . 0.0 111.491 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.451 ' HA2' ' CD2' ' A' ' 38' ' ' HIS . . . 59.41 99.74 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.574 179.738 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.445 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . 0.5 OUTLIER -75.3 143.49 42.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.823 0.344 . . . . 0.0 110.938 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.616 ' HG2' HD23 ' A' ' 36' ' ' LEU . 13.2 mt-10 -138.8 133.25 31.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.646 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.545 ' CE ' ' CG ' ' A' ' 102' ' ' TRP . 0.4 OUTLIER -118.69 121.91 41.24 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.61 -179.727 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -57.35 130.45 46.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.454 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.85 HD13 ' CB ' ' A' ' 122' ' ' GLN . 18.8 mt -95.05 28.25 2.86 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.547 -179.424 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.2 -61.59 1.81 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.808 0.337 . . . . 0.0 110.982 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.414 ' NH1' ' CB ' ' A' ' 97' ' ' SER . 19.3 mtm105 -116.61 50.86 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.754 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.659 HG22 ' O ' ' A' ' 95' ' ' VAL . 0.3 OUTLIER -100.28 161.99 13.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.074 -179.871 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.14 170.01 16.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.75 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.848 HG11 HG13 ' A' ' 116' ' ' VAL . 21.9 t -131.27 120.27 45.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.659 179.705 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.677 ' HE3' HG21 ' A' ' 95' ' ' VAL . 1.7 ptpm? -130.13 160.66 33.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.009 0.433 . . . . 0.0 111.599 -179.452 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.5 HG22 ' HA ' ' A' ' 92' ' ' PHE . 56.2 t -146.92 134.0 10.09 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.662 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -57.71 84.96 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.344 2.029 . . . . 0.0 112.209 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 63.65 99.01 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.376 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.13 101.02 0.05 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.958 0.408 . . . . 0.0 110.871 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.415 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.0 OUTLIER 169.99 176.69 0.1 OUTLIER Pre-proline 0 C--N 1.332 -0.191 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.552 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.415 ' CD ' ' CB ' ' A' ' 66' ' ' ARG . 53.9 Cg_exo -52.37 133.21 47.64 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.351 2.034 . . . . 0.0 112.103 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -71.57 141.05 37.36 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.388 2.059 . . . . 0.0 112.308 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.04 35.52 23.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.835 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.15 -52.55 65.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.202 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.4 mp -90.44 -70.51 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.235 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 55.39 58.09 4.9 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.901 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.68 17.6 10.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.746 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -108.5 93.34 4.47 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.896 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 83.01 -138.65 18.3 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.493 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -67.46 104.02 0.87 Allowed 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.444 2.096 . . . . 0.0 112.244 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.9 -176.07 0.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.987 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.55 -21.75 44.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.304 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 29.2 m 64.46 102.94 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.773 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 98.29 133.19 7.88 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.516 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.4 p -123.34 89.77 3.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.868 0.366 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 60.84 156.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.019 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 109.08 24.63 5.92 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.619 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -177.66 -39.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 0.0 110.94 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -174.72 162.37 3.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.108 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -151.39 121.42 7.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -56.11 -50.48 70.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.021 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.455 ' HB3' ' CZ ' ' A' ' 109' ' ' PHE . 2.5 mt-10 50.31 26.99 2.47 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.393 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -61.68 104.7 0.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.715 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.512 ' CE2' ' CD1' ' A' ' 109' ' ' PHE . 8.2 m-85 -85.64 137.02 33.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.263 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -138.71 129.77 26.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.551 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.615 ' CE2' HD11 ' A' ' 94' ' ' ILE . 11.0 p90 -119.25 149.61 41.48 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.928 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.424 ' HB2' ' HG3' ' A' ' 61' ' ' LYS . 0.8 OUTLIER -112.32 141.31 46.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.77 -179.259 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.921 HG21 HD23 ' A' ' 35' ' ' LEU . 13.7 mm -111.38 108.58 25.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.191 179.52 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.677 HG21 ' HE3' ' A' ' 61' ' ' LYS . 99.0 t -96.75 132.6 40.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.961 0.41 . . . . 0.0 111.641 -179.468 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.34 -174.05 2.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.229 179.231 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.414 ' CB ' ' NH1' ' A' ' 57' ' ' ARG . 0.3 OUTLIER -83.52 -20.18 34.36 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.238 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 8.6 t -100.14 23.57 9.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.836 0.35 . . . . 0.0 111.006 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 84.16 -21.82 9.44 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 120.679 -0.772 . . . . 0.0 113.23 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.99 123.94 7.92 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.94 0.37 . . . . 0.0 110.728 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.497 ' HA ' ' O ' ' A' ' 94' ' ' ILE . 23.4 m -125.2 114.78 19.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.837 0.351 . . . . 0.0 111.836 -179.529 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.636 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 38.5 m0 -92.84 105.5 17.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.972 178.772 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.489 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.8 OUTLIER -94.44 116.08 28.38 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.655 179.434 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.803 ' HB3' HD23 ' A' ' 10' ' ' LEU . 17.3 m-85 -123.79 163.87 20.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.22 0.533 . . . . 0.0 111.402 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.441 ' HB3' ' CB ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -126.04 108.82 11.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.863 179.07 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -53.52 122.62 10.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.77 -179.147 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.65 -32.99 74.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.336 179.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -116.17 138.93 50.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.373 179.418 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.512 ' CD1' ' CE2' ' A' ' 90' ' ' PHE . 15.5 m-30 -57.32 -36.2 70.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.33 -179.483 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -73.92 -36.02 64.66 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.057 0.456 . . . . 0.0 110.891 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.47 -32.14 73.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.489 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.579 ' O ' HG23 ' A' ' 116' ' ' VAL . 0.3 OUTLIER -56.78 -41.22 77.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.795 0.331 . . . . 0.0 110.816 -179.666 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -74.8 -46.73 34.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.635 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 118' ' ' ALA . . . -54.16 -51.92 62.78 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.475 179.666 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.725 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 55.4 m95 -59.17 -52.63 64.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.985 179.079 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.848 HG13 HG11 ' A' ' 60' ' ' VAL . 67.6 t -57.58 -33.8 45.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 CA-C-O 120.869 0.366 . . . . 0.0 110.32 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.412 ' O ' ' CB ' ' A' ' 121' ' ' SER . 0.0 OUTLIER -80.87 -28.26 36.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.31 179.002 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 114' ' ' ALA . . . -70.97 -43.84 67.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.311 179.545 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.708 HG13 HD21 ' A' ' 29' ' ' LEU . 2.4 mp -67.32 -48.73 76.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.072 179.324 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.678 ' O ' HD12 ' A' ' 124' ' ' LEU . 4.2 mt-10 -65.67 -32.79 74.55 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.913 0.387 . . . . 0.0 110.111 179.141 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.412 ' CB ' ' O ' ' A' ' 117' ' ' GLN . 12.9 t -66.36 -45.37 80.36 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.508 179.442 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.85 ' CB ' HD13 ' A' ' 55' ' ' LEU . 56.7 mm-40 -63.12 -33.97 76.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.412 179.609 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.596 HD12 ' HA ' ' A' ' 120' ' ' GLU . 24.9 mt -72.24 -37.23 58.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.921 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.678 HD12 ' O ' ' A' ' 120' ' ' GLU . 0.2 OUTLIER -66.68 -35.68 80.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.58 179.574 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.44 -30.66 57.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.91 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.2 m -80.77 -35.04 33.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.077 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.54 -34.02 72.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.949 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.14 -0.933 . . . . 0.0 110.966 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.791 0.329 . . . . 0.0 111.349 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.07 171.35 12.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.151 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.6 mm -126.13 132.38 24.3 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.958 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -59.81 128.01 25.42 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.424 2.082 . . . . 0.0 112.469 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.441 HG22 ' HB2' ' A' ' 118' ' ' ALA . 24.8 mm -92.88 -20.13 6.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.045 179.642 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.601 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 0.2 OUTLIER 176.99 110.56 0.02 OUTLIER 'General case' 0 C--O 1.216 -0.687 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.124 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.789 ' HB3' HG23 ' A' ' 28' ' ' THR . 2.9 pt20 -130.73 109.51 10.66 Favored 'General case' 0 C--N 1.312 -1.055 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.433 179.379 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -164.59 -175.19 3.74 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.2 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.594 ' CE1' HD11 ' A' ' 41' ' ' ILE . 5.1 m-85 -81.78 132.74 35.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.117 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.796 HD23 ' HB3' ' A' ' 104' ' ' PHE . 4.5 mp -126.43 151.88 47.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.357 179.628 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.526 HD23 ' HB2' ' A' ' 22' ' ' TRP . 1.0 OUTLIER -90.28 137.36 32.41 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 179.087 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.415 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.2 OUTLIER -126.09 126.53 44.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.914 0.388 . . . . 0.0 111.218 -179.504 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.458 ' NE ' ' CD2' ' A' ' 103' ' ' HIS . 15.3 mtt180 -47.65 148.15 1.59 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.088 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.59 -62.51 1.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.978 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -171.01 -72.52 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.745 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -52.1 129.41 27.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.774 0.321 . . . . 0.0 111.24 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.0 m -78.29 -53.88 6.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.989 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.43 HD12 ' H ' ' A' ' 18' ' ' LEU . 3.2 mp -53.2 -36.97 61.55 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.96 0.41 . . . . 0.0 110.946 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 53.0 m-20 -118.52 72.3 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.507 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.409 ' HD2' ' CD ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -55.91 150.06 13.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.186 -179.496 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -157.62 97.02 1.56 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.494 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.549 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 3.7 m95 -88.83 136.82 32.81 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.448 -178.592 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.29 160.42 16.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.589 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.98 117.86 8.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.09 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.458 ' HE3' ' HA ' ' A' ' 39' ' ' PRO . 0.3 OUTLIER -119.73 176.54 5.34 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.559 179.712 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.469 ' CE1' ' CG ' ' A' ' 44' ' ' TYR . 45.7 t80 -135.72 115.1 12.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.571 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.62 HG23 ' HB2' ' A' ' 10' ' ' LEU . 1.9 t -123.07 148.15 27.05 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.304 0 CA-C-O 120.947 0.403 . . . . 0.0 111.936 -179.285 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.789 HG23 ' HB3' ' A' ' 7' ' ' GLN . 95.9 m -138.89 110.57 7.11 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.06 177.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.689 HD21 HG13 ' A' ' 119' ' ' ILE . 0.2 OUTLIER -89.12 116.09 27.13 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 178.051 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.5 t -105.03 161.06 14.55 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.068 0.461 . . . . 0.0 111.392 -178.64 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.8 t -77.16 1.28 18.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.175 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -89.74 26.17 1.85 Allowed 'General case' 0 CA--C 1.522 -0.131 0 CA-C-O 120.814 0.34 . . . . 0.0 111.258 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 53.94 40.42 65.31 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.633 -0.794 . . . . 0.0 111.589 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.425 ' N ' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -138.2 128.68 26.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.966 0.412 . . . . 0.0 111.443 -179.454 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.972 HD23 HG21 ' A' ' 94' ' ' ILE . 2.3 tp -107.86 117.19 33.47 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.491 179.247 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.557 HD12 ' O ' ' A' ' 28' ' ' THR . 0.7 OUTLIER -112.39 143.8 42.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.039 0.447 . . . . 0.0 112.038 -178.892 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.433 ' CD2' ' HB3' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -148.93 130.06 14.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.415 179.382 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.487 ' CD2' ' HA2' ' A' ' 50' ' ' GLY . 0.2 OUTLIER -119.81 156.55 53.94 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.816 -179.479 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.458 ' HA ' ' HE3' ' A' ' 25' ' ' LYS . 59.5 Cg_exo -51.52 -28.91 29.97 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.776 2.317 . . . . 0.0 112.599 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.49 -174.68 1.22 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.841 0.353 . . . . 0.0 111.111 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.784 HG22 HD12 ' A' ' 45' ' ' ILE . 3.4 mp -63.96 -44.35 97.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.886 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 43.2 m-20 -51.89 -29.38 19.64 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.309 0.576 . . . . 0.0 110.104 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.437 ' CB ' ' HB3' ' A' ' 38' ' ' HIS . 1.7 m-20 -76.9 -38.56 53.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.837 179.476 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.469 ' CG ' ' CE1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -70.45 -51.35 29.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.233 0.539 . . . . 0.0 110.168 179.479 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.784 HD12 HG22 ' A' ' 41' ' ' ILE . 23.2 mt -59.55 -62.48 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.233 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.5 m80 -73.32 -24.75 60.42 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.74 -1.118 . . . . 0.0 112.292 -178.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.43 ' HA ' ' O ' ' A' ' 43' ' ' ASP . 1.4 m 76.61 73.03 0.07 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.827 0.346 . . . . 0.0 111.244 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 47.1 p -119.21 116.97 27.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 76.98 -59.74 0.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.459 -179.689 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.487 ' HA2' ' CD2' ' A' ' 38' ' ' HIS . . . 45.81 89.4 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.24 0 CA-C-N 115.564 -0.744 . . . . 0.0 113.159 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.446 ' HG2' ' CZ2' ' A' ' 102' ' ' TRP . 0.1 OUTLIER -78.9 141.24 37.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.761 0.315 . . . . 0.0 110.565 179.738 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -141.31 134.72 29.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.045 0.45 . . . . 0.0 110.931 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.561 ' CE ' ' CG ' ' A' ' 102' ' ' TRP . 0.9 OUTLIER -121.95 122.5 39.51 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.437 -179.868 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.485 ' O ' HG23 ' A' ' 58' ' ' THR . 13.5 p-10 -58.07 128.01 34.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.48 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.739 HD13 ' CB ' ' A' ' 122' ' ' GLN . 7.9 mt -91.54 20.22 5.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.797 -179.421 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -83.19 -61.64 1.8 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.784 0.326 . . . . 0.0 110.767 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.1 ttm-85 -109.86 52.56 0.72 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.664 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.615 HG22 ' O ' ' A' ' 95' ' ' VAL . 0.6 OUTLIER -106.59 162.05 14.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.174 -179.836 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.24 172.42 12.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.573 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.43 HG21 ' HG3' ' A' ' 120' ' ' GLU . 21.1 t -126.2 132.82 70.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.034 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.647 ' HE3' HG21 ' A' ' 95' ' ' VAL . 7.9 mtmt -129.77 159.09 37.58 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.239 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 22.0 t -122.67 136.4 26.65 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.832 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.2 59.45 3.06 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.547 2.164 . . . . 0.0 112.754 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.85 -46.67 3.46 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.718 -0.754 . . . . 0.0 113.059 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.02 152.23 0.55 Allowed 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.906 0.384 . . . . 0.0 111.417 -179.679 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.47 165.03 38.78 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.946 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.4 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 16.7 Cg_endo -57.62 119.76 7.23 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.628 2.219 . . . . 0.0 112.17 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 67' ' ' PRO . 39.9 Cg_exo -56.88 154.6 31.55 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.536 2.157 . . . . 0.0 112.315 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -92.8 116.71 29.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -90.64 -42.14 10.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.358 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.473 ' H ' HD12 ' A' ' 71' ' ' ILE . 3.7 mp -84.07 -36.14 11.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.278 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.22 70.28 2.15 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.967 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.72 17.49 10.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.721 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -157.7 159.12 36.58 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -159.17 145.94 12.23 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.452 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -72.89 168.8 23.7 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.458 2.105 . . . . 0.0 112.274 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.0 m -163.52 101.82 0.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -77.28 -32.05 55.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.06 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.9 t -163.8 64.2 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 63.32 -154.94 44.23 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.427 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 90.7 p -122.96 77.93 1.5 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.882 0.373 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -103.94 110.39 22.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 106.94 28.14 5.12 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.583 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -176.77 77.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.842 0.353 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.06 106.93 2.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.051 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -110.73 108.49 18.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -59.13 -37.64 77.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.452 ' HB3' ' CZ ' ' A' ' 109' ' ' PHE . 3.0 mt-10 55.0 34.24 22.0 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.2 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -82.24 108.98 16.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.477 179.763 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.512 ' CG ' ' HG3' ' A' ' 112' ' ' ARG . 16.2 m-85 -89.42 111.03 21.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.061 0.458 . . . . 0.0 111.798 -179.59 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -128.11 129.87 47.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.554 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.684 ' CE2' HD11 ' A' ' 94' ' ' ILE . 5.0 p90 -130.33 151.86 50.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.95 0.405 . . . . 0.0 111.689 -179.065 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.447 ' HG ' ' CG ' ' A' ' 103' ' ' HIS . 0.6 OUTLIER -115.63 145.73 42.44 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.025 -179.862 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.972 HG21 HD23 ' A' ' 35' ' ' LEU . 11.7 mm -116.64 108.32 24.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.267 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.647 HG21 ' HE3' ' A' ' 61' ' ' LYS . 84.8 t -97.0 131.88 42.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.873 0.368 . . . . 0.0 111.601 -179.706 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.4 -174.14 3.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.283 179.259 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 15.7 p -84.04 -17.3 40.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.274 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.2 t -101.89 23.39 11.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.939 0.4 . . . . 0.0 111.173 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 84.5 -21.76 10.13 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 120.799 -0.715 . . . . 0.0 113.329 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.07 128.47 16.29 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.93 0.365 . . . . 0.0 110.827 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.64 HG23 HG22 ' A' ' 95' ' ' VAL . 2.5 m -128.6 114.64 16.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.018 0.437 . . . . 0.0 111.888 -179.42 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.692 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 38.4 m0 -94.57 105.42 17.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.259 178.802 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.549 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.8 OUTLIER -96.84 116.16 28.68 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.302 179.069 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.796 ' HB3' HD23 ' A' ' 10' ' ' LEU . 17.5 m-85 -123.34 154.92 38.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.289 0.566 . . . . 0.0 111.906 -179.728 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.485 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 26.7 tt0 -121.81 93.53 4.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.303 178.31 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.631 ' HB3' ' HB3' ' A' ' 112' ' ' ARG . . . -40.6 162.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.408 -179.021 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -100.83 -51.86 3.45 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.598 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.444 ' O ' ' CD ' ' A' ' 112' ' ' ARG . 0.8 OUTLIER -98.06 133.08 43.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.888 -179.817 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.506 ' HA ' ' CG ' ' A' ' 112' ' ' ARG . 5.5 m-30 -50.27 -34.67 24.13 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.14 -179.542 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -74.13 -32.69 63.27 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.003 0.43 . . . . 0.0 110.08 178.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.6 -39.6 64.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.722 -179.573 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.631 ' HB3' ' HB3' ' A' ' 106' ' ' ALA . 0.0 OUTLIER -56.04 -44.19 78.57 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.472 -179.427 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -71.88 -41.03 68.5 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.527 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.546 ' HB1' ' HD3' ' A' ' 6' ' ' LYS . . . -58.27 -48.31 80.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.47 179.436 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.688 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 57.2 m95 -57.85 -53.69 55.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.972 179.331 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 74.4 t -55.61 -35.78 39.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-O 120.857 0.36 . . . . 0.0 110.181 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -79.51 -28.44 41.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.496 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.441 ' HB2' HG22 ' A' ' 5' ' ' ILE . . . -69.32 -46.63 66.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.398 179.564 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.689 HG13 HD21 ' A' ' 29' ' ' LEU . 2.9 mp -66.0 -47.66 84.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.121 179.338 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.43 ' HG3' HG21 ' A' ' 60' ' ' VAL . 37.7 mt-10 -65.69 -32.8 74.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.884 0.374 . . . . 0.0 110.177 179.226 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.1 m -68.2 -46.17 71.36 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.508 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.739 ' CB ' HD13 ' A' ' 55' ' ' LEU . 68.9 mm-40 -62.59 -34.96 78.04 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.397 179.565 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.421 ' O ' HD23 ' A' ' 127' ' ' LEU . 39.2 mt -73.95 -36.52 45.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.68 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 2.8 mp -68.64 -34.45 75.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.581 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.41 -33.23 58.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.5 m -77.53 -32.04 53.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.006 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.421 HD23 ' O ' ' A' ' 123' ' ' ILE . 1.6 mm? -68.37 -31.5 70.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.264 -0.874 . . . . 0.0 110.833 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.846 0.355 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.84 161.71 20.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.084 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.439 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 10.8 mm -118.09 129.49 25.33 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 21.5 Cg_exo -64.62 127.54 19.08 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.39 2.06 . . . . 0.0 112.4 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.505 ' N ' ' O ' ' A' ' 29' ' ' LEU . 27.5 mm -91.69 -19.68 6.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.135 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.618 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 4.0 tptt 176.54 110.73 0.02 OUTLIER 'General case' 0 C--O 1.216 -0.676 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.212 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.686 ' HB3' HG23 ' A' ' 28' ' ' THR . 19.5 pt20 -129.88 112.7 13.81 Favored 'General case' 0 C--N 1.313 -1.019 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.597 179.471 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.4 p -166.94 -175.17 2.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.153 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.656 ' CE1' HD11 ' A' ' 41' ' ' ILE . 3.2 m-85 -83.28 140.13 32.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.059 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.842 HD23 ' HB3' ' A' ' 104' ' ' PHE . 6.5 mp -132.99 158.05 43.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.485 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.475 HD23 ' HB2' ' A' ' 22' ' ' TRP . 1.1 mp -93.96 135.01 35.75 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.15 179.31 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.464 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.1 OUTLIER -124.09 120.57 32.77 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.974 0.416 . . . . 0.0 111.343 -179.493 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.482 ' HG2' ' CE2' ' A' ' 22' ' ' TRP . 7.8 mtp-105 -54.62 148.17 13.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.14 179.757 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.1 t -88.63 -57.46 2.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 152.6 83.75 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.583 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 178.88 102.45 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.783 0.325 . . . . 0.0 110.88 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.56 -42.8 95.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.02 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.58 -36.27 73.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -147.23 93.76 2.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.706 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.463 ' HD2' ' HG2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -56.46 163.12 1.85 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.073 0.463 . . . . 0.0 111.12 -179.803 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -162.88 98.16 0.96 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.81 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.529 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 3.3 m95 -95.69 142.24 28.22 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.386 -178.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -117.15 156.04 28.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.564 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.48 123.63 19.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.026 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -125.25 -177.05 3.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.664 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.507 ' CE1' ' CG ' ' A' ' 44' ' ' TYR . 52.7 t80 -137.84 114.95 10.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.132 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.713 HG21 HD22 ' A' ' 10' ' ' LEU . 1.6 t -120.9 146.34 25.99 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.295 0 CA-C-O 120.945 0.402 . . . . 0.0 111.845 -179.213 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.686 HG23 ' HB3' ' A' ' 7' ' ' GLN . 95.7 m -138.77 110.84 7.3 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.028 177.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.85 ' CD2' HD13 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -89.25 115.69 26.93 Favored 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 177.906 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.6 t -105.43 161.19 14.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.06 0.457 . . . . 0.0 111.484 -178.524 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.7 p -76.69 1.86 15.87 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.212 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 32.2 p30 -89.56 26.11 1.81 Allowed 'General case' 0 CA--C 1.521 -0.145 0 CA-C-O 120.759 0.314 . . . . 0.0 111.375 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.43 ' HA2' ' HB3' ' A' ' 122' ' ' GLN . . . 53.13 39.61 58.12 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.533 -0.842 . . . . 0.0 111.804 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.524 ' N ' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -138.73 123.61 18.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.973 0.416 . . . . 0.0 111.518 -179.431 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.896 HD23 HG21 ' A' ' 94' ' ' ILE . 3.7 tp -100.0 116.88 33.07 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 178.747 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.482 HD23 ' HB3' ' A' ' 52' ' ' GLU . 0.4 OUTLIER -113.31 149.27 34.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.045 0.45 . . . . 0.0 111.853 -178.866 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.447 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -158.24 130.61 7.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.277 179.247 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.497 ' CD2' ' HA2' ' A' ' 50' ' ' GLY . 0.1 OUTLIER -118.83 160.32 40.99 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.781 -179.465 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -50.56 -33.56 39.39 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.585 2.19 . . . . 0.0 112.394 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.3 t -167.09 -175.45 2.99 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.843 HG22 HD12 ' A' ' 45' ' ' ILE . 3.4 mp -63.16 -44.13 99.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.859 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -51.9 -28.98 18.1 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.31 0.576 . . . . 0.0 110.127 179.304 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.427 ' CB ' ' HB3' ' A' ' 38' ' ' HIS . 1.7 m-20 -76.87 -38.59 53.39 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.822 179.506 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.507 ' CG ' ' CE1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -70.76 -51.19 28.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.254 0.55 . . . . 0.0 110.208 179.612 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.843 HD12 HG22 ' A' ' 41' ' ' ILE . 20.4 mt -59.84 -61.94 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.192 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.403 ' O ' ' HB2' ' A' ' 47' ' ' SER . 8.5 m80 -73.53 -24.43 60.14 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.773 -1.103 . . . . 0.0 112.27 -178.566 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.422 ' HA ' ' O ' ' A' ' 43' ' ' ASP . 9.9 m 77.25 74.3 0.07 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.924 0.392 . . . . 0.0 111.325 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 31.9 p -123.43 120.58 33.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 179.572 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 77.63 -60.77 0.42 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.512 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.497 ' HA2' ' CD2' ' A' ' 38' ' ' HIS . . . 44.09 88.47 0.01 OUTLIER Glycine 0 CA--C 1.517 0.203 0 CA-C-N 115.49 -0.777 . . . . 0.0 113.277 179.587 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.438 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . 13.4 mmtt -84.45 129.37 34.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.736 0.303 . . . . 0.0 110.656 179.618 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.482 ' HB3' HD23 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -131.03 137.67 49.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.167 0.508 . . . . 0.0 111.146 -179.749 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.545 ' CE ' ' CG ' ' A' ' 102' ' ' TRP . 0.3 OUTLIER -121.99 122.07 38.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.365 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.48 130.67 43.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.585 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.745 HD13 ' CB ' ' A' ' 122' ' ' GLN . 14.0 mt -95.56 25.83 4.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.495 -179.555 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.19 -61.73 1.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.785 0.326 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.08 52.09 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.625 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.599 HG22 ' O ' ' A' ' 95' ' ' VAL . 0.5 OUTLIER -102.25 161.95 13.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.047 -179.877 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.07 167.29 18.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.444 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.6 m -128.58 119.12 49.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.032 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.731 ' HE3' HG21 ' A' ' 95' ' ' VAL . 5.2 mttm -112.4 162.97 14.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.083 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.434 ' HA ' ' HD3' ' A' ' 63' ' ' PRO . 2.4 m -144.0 132.65 11.15 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.039 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 62' ' ' VAL . 18.7 Cg_exo -65.97 66.55 0.43 Allowed 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.499 2.133 . . . . 0.0 112.07 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 62' ' ' VAL . . . 125.75 74.92 0.23 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.349 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.2 101.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.855 0.359 . . . . 0.0 111.156 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.436 ' HG2' ' HD2' ' A' ' 67' ' ' PRO . 8.1 mtt180 -174.06 170.25 1.77 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.474 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.436 ' HD2' ' HG2' ' A' ' 66' ' ' ARG . 67.1 Cg_endo -74.38 118.55 5.4 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.375 2.05 . . . . 0.0 112.266 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.443 ' HB2' ' CZ ' ' A' ' 90' ' ' PHE . 99.0 Cg_endo -79.31 59.66 7.49 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.47 2.113 . . . . 0.0 112.392 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -145.71 111.05 5.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.942 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -90.63 -56.35 3.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.125 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 41.3 mt -144.55 -57.04 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.8 m -151.59 -161.3 1.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.731 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.62 17.66 9.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.037 0.446 . . . . 0.0 111.651 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -132.7 139.07 47.49 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.727 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -98.93 147.52 18.52 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.585 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.09 80.27 1.58 Allowed 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.559 2.172 . . . . 0.0 112.289 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.61 137.87 48.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.75 -31.17 32.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 98.8 p -152.49 42.63 0.65 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.823 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 69.59 56.21 8.81 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.525 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.7 m -134.47 167.37 20.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.789 0.328 . . . . 0.0 110.939 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -111.23 152.31 27.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.084 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -80.78 -110.05 0.3 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.502 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -129.17 -78.57 0.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.867 0.365 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.8 94.34 0.09 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.08 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.86 71.64 0.22 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.794 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.67 -24.12 61.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.032 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -92.22 34.08 1.05 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.33 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -93.44 103.9 16.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.52 179.66 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.502 ' CD1' ' CD1' ' A' ' 109' ' ' PHE . 3.9 m-85 -87.48 104.01 16.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.291 -179.37 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -140.95 129.87 23.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.362 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.617 ' CE1' HD11 ' A' ' 94' ' ' ILE . 30.3 p90 -123.64 159.26 29.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.859 0.361 . . . . 0.0 111.169 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.412 HD23 ' HB2' ' A' ' 103' ' ' HIS . 0.6 OUTLIER -120.35 149.63 42.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.194 -179.719 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.896 HG21 HD23 ' A' ' 35' ' ' LEU . 10.5 mm -122.24 108.45 21.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.347 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.78 HG22 HG23 ' A' ' 101' ' ' THR . 62.6 t -100.32 132.43 45.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.974 0.416 . . . . 0.0 111.79 -179.443 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.471 ' HA ' HG22 ' A' ' 58' ' ' THR . 0.2 OUTLIER -95.81 -174.08 3.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.255 179.243 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 52.7 p -88.37 -0.08 56.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.595 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.5 t -114.71 22.84 13.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.931 0.396 . . . . 0.0 110.951 179.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 83.87 -21.65 9.24 Favored Glycine 0 CA--C 1.52 0.358 0 C-N-CA 120.704 -0.76 . . . . 0.0 113.25 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -54.09 133.44 43.91 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.93 0.365 . . . . 0.0 110.747 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.78 HG23 HG22 ' A' ' 95' ' ' VAL . 2.8 m -133.5 114.75 13.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.993 0.425 . . . . 0.0 111.66 -179.618 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.642 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 36.7 m0 -93.8 105.53 17.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.161 178.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.529 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.7 OUTLIER -96.22 115.92 28.19 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.415 -0.514 . . . . 0.0 110.198 179.062 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.842 ' HB3' HD23 ' A' ' 10' ' ' LEU . 18.2 m-85 -121.64 163.1 19.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.258 0.551 . . . . 0.0 111.737 -179.717 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.436 ' HB3' ' CB ' ' A' ' 11' ' ' LEU . 37.8 tt0 -130.26 101.98 6.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.631 178.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.646 ' HB3' ' HB2' ' A' ' 112' ' ' ARG . . . -53.35 132.0 38.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.743 -179.139 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -67.84 -32.38 72.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.461 179.454 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.2 m -112.12 146.89 37.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.465 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.502 ' CD1' ' CD1' ' A' ' 90' ' ' PHE . 13.5 m-85 -66.04 -36.52 83.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.205 -179.65 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -73.63 -40.99 63.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.067 0.46 . . . . 0.0 110.749 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.14 -38.37 79.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.075 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.646 ' HB2' ' HB3' ' A' ' 106' ' ' ALA . 0.0 OUTLIER -56.55 -47.77 78.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.977 -179.708 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.53 ' O ' HG12 ' A' ' 116' ' ' VAL . 0.7 OUTLIER -66.55 -33.17 75.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.617 179.869 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.485 ' HB1' ' HD3' ' A' ' 6' ' ' LYS . . . -67.67 -46.83 71.24 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 179.246 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.702 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 60.1 m95 -60.79 -49.72 76.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.947 179.163 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.53 HG12 ' O ' ' A' ' 113' ' ' ASP . 1.0 OUTLIER -57.57 -34.65 47.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.96 0.41 . . . . 0.0 110.358 179.668 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.406 ' O ' ' CB ' ' A' ' 121' ' ' SER . 34.6 tt0 -80.52 -31.45 37.09 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.172 179.178 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.452 ' HB2' HG22 ' A' ' 5' ' ' ILE . . . -66.12 -48.09 72.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.473 179.497 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.701 HG13 HD21 ' A' ' 29' ' ' LEU . 2.7 mp -65.33 -48.84 81.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.987 179.245 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.48 ' HA ' HD12 ' A' ' 123' ' ' ILE . 7.2 mm-40 -64.74 -32.78 74.62 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.212 179.25 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.406 ' CB ' ' O ' ' A' ' 117' ' ' GLN . 4.8 m -66.48 -44.9 81.4 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.384 179.541 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.745 ' CB ' HD13 ' A' ' 55' ' ' LEU . 71.6 mm-40 -65.1 -35.65 81.81 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.447 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.48 HD12 ' HA ' ' A' ' 120' ' ' GLU . 18.8 mt -72.49 -34.95 49.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.963 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.6 -36.29 78.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.516 179.61 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.51 -29.94 57.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.991 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.3 m -81.14 -33.81 32.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.113 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.3 -64.51 0.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.987 0.422 . . . . 0.0 110.908 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.925 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.304 0 CA-C-O 120.834 0.349 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.86 159.97 23.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.095 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.4 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 1.8 mp -112.77 133.62 21.89 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.098 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 12.4 Cg_exo -69.72 127.11 14.16 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.468 2.112 . . . . 0.0 112.305 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.539 ' N ' HD12 ' A' ' 5' ' ' ILE . 1.4 mp -90.93 -20.46 6.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.703 179.447 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.607 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 0.8 OUTLIER -176.54 110.59 0.09 Allowed 'General case' 0 C--O 1.216 -0.661 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 179.087 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.771 ' HB2' HG23 ' A' ' 28' ' ' THR . 8.7 tt0 -129.07 109.4 11.16 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-O 120.793 0.33 . . . . 0.0 110.305 179.366 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.7 -175.12 3.67 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.082 -179.679 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.521 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.5 OUTLIER -85.17 141.45 30.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.959 -179.829 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.832 HD23 ' HB3' ' A' ' 104' ' ' PHE . 8.5 mp -132.65 158.02 43.34 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.451 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.494 HD23 ' HB2' ' A' ' 22' ' ' TRP . 1.2 tp -90.81 135.23 33.86 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 179.27 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.436 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.1 OUTLIER -123.66 109.86 14.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.229 -179.423 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.441 ' HB3' ' CE2' ' A' ' 22' ' ' TRP . 0.1 OUTLIER -63.14 136.13 57.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.97 179.908 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 49.1 m -134.04 82.69 1.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 165.84 -167.85 39.36 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.476 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -64.57 178.66 0.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.859 0.361 . . . . 0.0 110.907 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 m -78.65 -42.6 28.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.953 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.46 -44.01 88.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.854 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.2 m120 -108.64 90.75 3.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.721 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.483 ' HD3' ' CZ2' ' A' ' 22' ' ' TRP . 34.1 mttt -83.16 158.66 22.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.154 0.502 . . . . 0.0 111.205 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -162.34 97.71 1.01 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.713 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.583 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 3.2 m95 -93.15 131.87 37.82 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.394 -178.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.6 mtpp -110.29 155.72 21.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.433 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.2 mmtp -63.15 120.53 11.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.918 0.389 . . . . 0.0 110.781 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -125.52 -177.2 3.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.681 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.478 ' O ' ' HA ' ' A' ' 37' ' ' TYR . 43.0 t80 -133.73 131.67 39.68 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.359 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.727 HG21 HD22 ' A' ' 10' ' ' LEU . 1.4 t -136.56 146.59 28.5 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.277 0 CA-C-O 120.918 0.39 . . . . 0.0 111.639 -179.53 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.771 HG23 ' HB2' ' A' ' 7' ' ' GLN . 85.1 m -138.82 110.85 7.28 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.434 178.061 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.716 HD23 ' CZ3' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -89.32 115.08 26.53 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 177.495 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.465 ' C ' HD13 ' A' ' 5' ' ' ILE . 30.8 t -104.67 165.02 11.34 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.159 0.504 . . . . 0.0 111.654 -178.123 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.447 ' HB3' HD11 ' A' ' 5' ' ' ILE . 22.0 p -79.84 1.06 28.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.097 179.654 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -89.68 26.07 1.86 Allowed 'General case' 0 CA--C 1.521 -0.151 0 CA-C-O 120.729 0.3 . . . . 0.0 111.315 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 53.29 39.43 58.82 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.562 -0.827 . . . . 0.0 111.389 -179.502 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.456 ' N ' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -139.16 137.31 35.96 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 121.057 0.456 . . . . 0.0 111.396 -179.402 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.79 HD23 HG21 ' A' ' 94' ' ' ILE . 1.1 tp -117.19 117.29 29.17 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.884 179.203 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.861 HD23 ' HG2' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -114.26 152.49 31.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.096 -179.516 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.478 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -156.2 131.41 9.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.215 0.531 . . . . 0.0 111.099 179.348 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.46 ' CD2' ' HA3' ' A' ' 50' ' ' GLY . 0.7 OUTLIER -115.23 161.54 29.12 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.831 -179.528 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_exo -55.89 -38.02 95.12 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.603 2.202 . . . . 0.0 112.582 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.2 m -155.37 -175.57 5.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 0.0 111.196 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.765 HG22 HD12 ' A' ' 45' ' ' ILE . 3.4 mp -67.81 -43.6 86.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -51.86 -26.45 10.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.353 0.597 . . . . 0.0 110.121 179.175 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.467 ' HB3' ' O ' ' A' ' 48' ' ' THR . 68.9 m-20 -76.73 -40.41 48.65 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.753 179.552 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -70.96 -51.09 27.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.23 0.538 . . . . 0.0 110.09 179.582 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.765 HD12 HG22 ' A' ' 41' ' ' ILE . 18.6 mt -58.08 -62.07 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.081 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.3 m80 -73.5 -24.43 60.18 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 114.77 -1.105 . . . . 0.0 112.016 -178.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.9 t 77.08 72.51 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.004 0.431 . . . . 0.0 111.097 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.467 ' O ' ' HB3' ' A' ' 43' ' ' ASP . 43.8 p -147.27 117.28 7.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.045 179.41 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 67.52 88.21 0.11 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.846 -178.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.46 ' HA3' ' CD2' ' A' ' 38' ' ' HIS . . . -145.02 91.39 0.16 Allowed Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 111.499 -0.64 . . . . 0.0 111.499 -179.681 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 36' ' ' LEU . 3.4 tttm -68.29 142.8 55.45 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.876 0.37 . . . . 0.0 111.378 -179.237 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.861 ' HG2' HD23 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -131.74 162.27 30.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.308 179.77 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.658 ' HE3' ' CE2' ' A' ' 102' ' ' TRP . 5.7 ptp -147.02 153.18 39.72 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.049 0.452 . . . . 0.0 111.544 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.408 ' O ' HG23 ' A' ' 58' ' ' THR . 1.0 OUTLIER -81.66 126.81 32.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.811 -0.632 . . . . 0.0 109.5 178.908 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.801 HD13 ' CB ' ' A' ' 122' ' ' GLN . 3.5 mt -90.08 22.64 3.15 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -178.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.1 tt -83.24 -61.62 1.8 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.809 0.338 . . . . 0.0 110.721 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.2 mtm180 -108.82 51.85 0.73 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.497 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.6 HG22 ' O ' ' A' ' 95' ' ' VAL . 0.3 OUTLIER -103.1 161.91 13.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.008 -179.722 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.78 166.83 22.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.508 179.634 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.5 m -126.73 132.75 69.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.902 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.539 ' HE3' HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -121.25 163.61 18.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.996 0.427 . . . . 0.0 111.441 -179.492 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.514 HG21 ' HD3' ' A' ' 68' ' ' PRO . 14.1 t -147.56 102.51 3.72 Favored Pre-proline 0 C--N 1.331 -0.221 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.812 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.806 ' HD3' HD12 ' A' ' 93' ' ' LEU . 92.4 Cg_endo -86.34 127.8 2.94 Favored 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 122.782 2.322 . . . . 0.0 112.845 -179.671 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.25 -25.9 20.08 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.976 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -137.55 169.79 17.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.946 0.403 . . . . 0.0 111.369 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.483 ' HB3' ' HD2' ' A' ' 67' ' ' PRO . 0.2 OUTLIER -83.39 169.03 18.77 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.679 179.883 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.483 ' HD2' ' HB3' ' A' ' 66' ' ' ARG . 71.2 Cg_exo -52.15 129.71 32.2 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.327 2.018 . . . . 0.0 112.116 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.809 ' HG2' HG11 ' A' ' 116' ' ' VAL . 24.3 Cg_endo -61.15 84.28 0.08 OUTLIER 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.518 2.146 . . . . 0.0 112.259 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 -143.71 158.23 43.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.833 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.91 -29.66 64.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.0 mt -80.23 -29.79 12.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.203 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 70.0 m 62.64 147.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.942 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.7 17.59 10.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.843 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -159.22 139.95 12.51 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.995 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 175.69 59.06 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.516 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.41 -30.83 6.22 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.586 2.191 . . . . 0.0 112.44 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 68.1 m -120.97 158.15 28.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.37 -31.26 20.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.977 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 34.7 t -140.09 76.91 1.58 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -79.52 102.6 1.99 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.503 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.3 t -65.05 176.87 1.12 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.81 0.338 . . . . 0.0 110.912 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 60.51 157.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 140.5 -63.95 0.53 Allowed Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.496 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 60.18 86.74 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.741 0.305 . . . . 0.0 110.926 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -138.32 171.52 14.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.036 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -89.86 114.97 26.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.816 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -59.17 -25.42 63.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.046 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.463 ' HA ' ' CE2' ' A' ' 109' ' ' PHE . 13.8 mt-10 -109.56 67.65 0.65 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.996 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -131.5 103.56 6.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.952 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.597 ' CD1' ' N ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -121.96 117.81 27.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.926 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -146.61 131.6 18.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.637 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.652 ' CE2' HD11 ' A' ' 94' ' ' ILE . 4.6 p90 -130.14 142.85 50.55 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.822 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.806 HD12 ' HD3' ' A' ' 63' ' ' PRO . 1.2 mt -105.1 150.31 25.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.067 -179.562 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.79 HG21 HD23 ' A' ' 35' ' ' LEU . 7.7 mm -125.17 112.44 31.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.958 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.715 HG22 HG23 ' A' ' 101' ' ' THR . 84.8 t -103.95 129.29 56.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.906 0.384 . . . . 0.0 111.473 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.492 ' HA ' HG22 ' A' ' 58' ' ' THR . 86.2 p -93.96 -174.13 3.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.519 179.555 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 6.8 p -80.21 -21.66 42.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.158 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.2 t -97.91 24.21 7.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.93 0.395 . . . . 0.0 111.241 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 76.89 -8.11 31.32 Favored Glycine 0 CA--C 1.52 0.404 0 C-N-CA 120.785 -0.721 . . . . 0.0 113.604 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -58.55 118.62 5.82 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 117.316 0.558 . . . . 0.0 110.437 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.715 HG23 HG22 ' A' ' 95' ' ' VAL . 1.2 m -115.41 114.81 25.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.988 0.423 . . . . 0.0 111.751 -179.427 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.658 ' CE2' ' HE3' ' A' ' 53' ' ' MET . 33.3 m0 -101.0 105.58 16.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.581 179.165 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.583 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.9 OUTLIER -93.8 116.14 28.6 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.105 178.949 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.832 ' HB3' HD23 ' A' ' 10' ' ' LEU . 20.0 m-85 -122.44 158.89 28.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.423 0.63 . . . . 0.0 111.895 -179.563 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.446 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 23.3 tt0 -127.5 104.78 8.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.135 -0.938 . . . . 0.0 109.57 178.765 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.666 ' HB3' ' HB3' ' A' ' 112' ' ' ARG . . . -52.07 129.96 28.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.795 -179.101 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -68.85 -35.93 77.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.364 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.47 147.76 32.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.345 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.548 ' CE1' ' CD1' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -65.8 -34.18 77.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.203 -179.613 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 16.4 tm-20 -74.05 -32.71 63.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.065 0.46 . . . . 0.0 110.763 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.45 -35.45 73.34 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.765 -179.365 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.712 ' O ' HG23 ' A' ' 116' ' ' VAL . 5.4 ppt_? -56.61 -40.06 74.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.707 0.289 . . . . 0.0 110.825 -179.504 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.85 -48.61 24.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.571 179.361 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.407 ' O ' ' N ' ' A' ' 118' ' ' ALA . . . -52.6 -52.27 56.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.432 179.538 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.716 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 55.6 m95 -57.26 -53.28 59.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.959 179.175 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.809 HG11 ' HG2' ' A' ' 68' ' ' PRO . 78.8 t -54.93 -34.45 31.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 CA-C-O 121.012 0.435 . . . . 0.0 110.122 179.454 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.4 ' O ' ' CB ' ' A' ' 121' ' ' SER . 0.9 OUTLIER -79.82 -29.27 40.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.206 178.938 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.496 ' HB2' HG22 ' A' ' 5' ' ' ILE . . . -67.82 -47.25 69.59 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-O 121.08 0.467 . . . . 0.0 110.431 179.595 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.677 HG13 HD21 ' A' ' 29' ' ' LEU . 3.3 mp -65.88 -48.54 81.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.018 179.303 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.754 ' HA ' HD12 ' A' ' 123' ' ' ILE . 3.0 mm-40 -65.43 -32.86 74.71 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.61 179.369 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 117' ' ' GLN . 58.2 p -69.15 -41.55 77.12 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.426 179.663 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.801 ' CB ' HD13 ' A' ' 55' ' ' LEU . 66.8 mm-40 -66.08 -31.07 71.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.267 179.422 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.754 HD12 ' HA ' ' A' ' 120' ' ' GLU . 17.8 mt -73.21 -38.29 54.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.931 179.706 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.401 HD23 ' O ' ' A' ' 124' ' ' LEU . 9.6 tt -68.69 -35.62 77.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.747 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.37 -30.52 57.6 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.947 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 8.2 t -78.49 -31.36 47.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.736 HD23 ' O ' ' A' ' 123' ' ' ILE . 3.1 mm? -66.18 -30.63 71.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.913 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.159 -0.924 . . . . 0.0 110.851 -179.976 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.438 0 CA-C-O 120.948 0.404 . . . . 0.0 111.134 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.46 ' HB1' ' HB3' ' A' ' 31' ' ' SER . . . -98.82 177.14 5.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.441 ' CG2' ' HD2' ' A' ' 4' ' ' PRO . 1.8 mt -126.31 137.64 30.69 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.441 ' HD2' ' CG2' ' A' ' 3' ' ' ILE . 18.0 Cg_endo -59.93 127.09 22.17 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.355 2.036 . . . . 0.0 112.376 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.438 HG22 ' HB2' ' A' ' 118' ' ' ALA . 47.2 mm -91.97 -20.27 6.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.13 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.619 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 0.0 OUTLIER 179.93 110.5 0.04 OUTLIER 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 179.278 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.791 ' HB3' HG23 ' A' ' 28' ' ' THR . 12.4 pt20 -129.47 109.74 11.3 Favored 'General case' 0 C--N 1.311 -1.095 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.624 179.454 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.83 -175.12 3.63 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.268 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.571 ' O ' HD12 ' A' ' 10' ' ' LEU . 2.0 m-85 -83.62 140.96 31.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.082 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 1.094 HD22 HG21 ' A' ' 27' ' ' VAL . 10.8 mp -131.5 156.31 45.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.514 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.674 HD22 ' OE1' ' A' ' 105' ' ' GLU . 1.2 tp -94.02 142.08 27.79 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 179.069 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.408 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.1 OUTLIER -134.6 111.11 9.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.906 0.384 . . . . 0.0 111.301 -179.631 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -55.46 148.0 16.35 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.073 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 71.5 m -156.51 30.84 0.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.923 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -128.65 -149.8 7.04 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.581 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -81.88 174.1 11.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.815 0.341 . . . . 0.0 110.91 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 85.3 p -75.11 -40.75 59.66 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.7 tp -76.55 -34.43 58.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.956 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -121.56 78.43 1.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.798 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.444 ' HD3' ' CZ2' ' A' ' 22' ' ' TRP . 4.0 mttt -59.12 167.82 1.58 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.116 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -164.64 98.18 0.78 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.958 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.539 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 3.9 m95 -94.27 138.74 31.92 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.373 -179.002 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.5 152.32 27.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.492 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.28 124.61 21.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.943 0.402 . . . . 0.0 110.944 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -124.92 -177.02 3.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.689 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.5 ' CZ ' ' CD2' ' A' ' 44' ' ' TYR . 50.0 t80 -138.22 114.99 10.67 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.301 -179.667 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 1.094 HG21 HD22 ' A' ' 10' ' ' LEU . 1.9 t -121.73 146.81 26.24 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.319 0 CA-C-O 121.038 0.447 . . . . 0.0 111.908 -179.382 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.791 HG23 ' HB3' ' A' ' 7' ' ' GLN . 90.5 m -138.75 111.03 7.4 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.883 177.711 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.748 ' CD2' HD13 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -89.34 117.45 28.3 Favored 'General case' 0 N--CA 1.445 -0.698 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 177.945 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.1 t -106.35 162.01 14.06 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.011 0.434 . . . . 0.0 111.303 -178.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.46 ' HB3' ' HB1' ' A' ' 2' ' ' ALA . 2.6 t -76.66 2.52 13.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.248 179.577 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 35.1 t-20 -91.06 26.04 2.27 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-O 120.826 0.346 . . . . 0.0 111.209 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.404 ' C ' HD12 ' A' ' 55' ' ' LEU . . . 52.42 41.85 56.1 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.476 -0.869 . . . . 0.0 111.633 -179.539 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.582 ' N ' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -139.18 123.62 18.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.02 0.438 . . . . 0.0 111.479 -179.352 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.986 HD23 HG21 ' A' ' 94' ' ' ILE . 2.7 tp -100.67 116.96 33.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.649 179.073 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.535 HD23 ' HB3' ' A' ' 52' ' ' GLU . 0.3 OUTLIER -113.35 146.45 39.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.969 0.414 . . . . 0.0 111.546 -179.15 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.448 ' HB2' HG22 ' A' ' 27' ' ' VAL . 0.1 OUTLIER -157.15 132.84 9.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.468 179.2 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.501 ' CD2' ' HA2' ' A' ' 50' ' ' GLY . 0.1 OUTLIER -120.95 160.77 43.5 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.824 -179.464 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_exo -51.01 -35.89 52.06 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.669 2.246 . . . . 0.0 112.353 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.9 t -163.76 -176.16 4.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.816 HG22 HD12 ' A' ' 45' ' ' ILE . 3.3 mp -63.26 -43.77 98.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.869 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -51.83 -28.78 16.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.341 0.591 . . . . 0.0 110.136 179.232 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.443 ' HB2' ' CB ' ' A' ' 38' ' ' HIS . 1.3 m-20 -76.98 -37.79 54.45 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.638 179.533 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.5 ' CD2' ' CZ ' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -71.42 -51.32 24.59 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.25 0.548 . . . . 0.0 110.233 179.552 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.816 HD12 HG22 ' A' ' 41' ' ' ILE . 19.8 mt -59.9 -61.93 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.311 -0.858 . . . . 0.0 111.186 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.3 m80 -73.49 -24.47 60.19 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.766 -1.106 . . . . 0.0 112.212 -178.529 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' A' ' 43' ' ' ASP . 2.7 t 77.8 74.02 0.06 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.868 0.366 . . . . 0.0 111.271 179.657 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.442 ' O ' ' HB2' ' A' ' 49' ' ' HIS . 27.3 p -120.87 124.44 45.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.624 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.442 ' HB2' ' O ' ' A' ' 48' ' ' THR . 1.3 m-70 71.11 -60.16 0.52 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.405 -179.432 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.501 ' HA2' ' CD2' ' A' ' 38' ' ' HIS . . . 44.9 89.42 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.256 0 CA-C-N 115.571 -0.741 . . . . 0.0 113.272 179.484 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.412 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -83.87 131.37 34.88 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.689 0.281 . . . . 0.0 110.681 179.623 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.535 ' HB3' HD23 ' A' ' 36' ' ' LEU . 0.4 OUTLIER -132.11 133.28 44.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.152 0.501 . . . . 0.0 110.947 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.549 ' CE ' ' CG ' ' A' ' 102' ' ' TRP . 0.5 OUTLIER -118.91 120.1 36.28 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.345 -179.75 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.409 ' O ' HG23 ' A' ' 58' ' ' THR . 26.3 t0 -56.57 130.96 47.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.605 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.833 HD13 ' CB ' ' A' ' 122' ' ' GLN . 43.2 mt -95.09 24.18 5.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.42 -179.657 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.424 HD12 ' HB3' ' A' ' 126' ' ' SER . 26.3 tp -83.02 -57.37 3.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.758 0.313 . . . . 0.0 110.751 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 65.5 mtm180 -119.38 55.54 0.95 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.387 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.575 HG22 ' O ' ' A' ' 95' ' ' VAL . 0.6 OUTLIER -106.18 162.12 13.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.095 -179.858 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -131.98 168.86 17.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.761 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.713 HG11 HG13 ' A' ' 116' ' ' VAL . 21.6 t -127.0 125.0 65.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.812 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.768 ' HE3' HG21 ' A' ' 95' ' ' VAL . 3.4 mtmm -133.28 163.38 29.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.043 0.449 . . . . 0.0 111.355 -179.54 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.459 HG13 ' HD2' ' A' ' 63' ' ' PRO . 36.8 t -116.11 138.62 24.3 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.753 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.459 ' HD2' HG13 ' A' ' 62' ' ' VAL . 10.6 Cg_endo -53.79 85.31 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.796 2.331 . . . . 0.0 112.752 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.35 -55.59 4.63 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.936 -0.649 . . . . 0.0 112.833 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.48 172.37 1.59 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.885 0.374 . . . . 0.0 111.104 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.434 ' HB3' ' HD2' ' A' ' 67' ' ' PRO . 19.9 mmm-85 -94.77 169.12 10.03 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.583 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.434 ' HD2' ' HB3' ' A' ' 66' ' ' ARG . 63.8 Cg_exo -52.09 134.14 48.87 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.375 2.05 . . . . 0.0 112.169 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.32 167.57 24.77 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.576 2.184 . . . . 0.0 112.397 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 24.8 mtt180 -145.42 107.85 4.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.896 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.91 -52.34 66.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.312 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.0 mt -53.09 145.87 2.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.084 -179.483 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 15.5 m -133.14 48.99 2.35 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.923 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.75 17.56 10.2 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.807 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -63.26 175.46 0.95 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -80.12 -164.52 30.14 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.473 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.08 115.59 2.25 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.588 2.192 . . . . 0.0 112.264 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 65.5 m -134.64 80.88 1.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.992 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -77.17 -29.46 54.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.122 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 35.0 t 62.39 79.09 0.27 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.831 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -80.07 97.42 1.65 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.568 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.8 m 60.88 100.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.759 0.314 . . . . 0.0 110.942 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.26 -177.26 5.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.096 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -111.65 -83.27 1.32 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.471 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -67.49 -30.08 69.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.806 0.336 . . . . 0.0 110.923 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 62.33 32.14 17.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -130.62 31.14 4.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.858 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -58.97 -24.05 62.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.089 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -83.89 10.6 9.33 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.606 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 10.9 p-10 -59.76 109.55 0.95 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.831 0.348 . . . . 0.0 110.64 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.468 ' CD2' ' HA ' ' A' ' 109' ' ' PHE . 3.7 m-30 -101.73 103.9 14.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.931 0.396 . . . . 0.0 111.137 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.437 ' HB3' ' HE1' ' A' ' 103' ' ' HIS . 12.5 mp0 -151.1 129.95 12.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.401 179.778 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.603 ' CE1' HD11 ' A' ' 94' ' ' ILE . 25.9 p90 -124.9 153.7 42.24 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.812 0.339 . . . . 0.0 111.238 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -118.76 143.45 46.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.161 -179.737 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.986 HG21 HD23 ' A' ' 35' ' ' LEU . 11.1 mm -114.35 108.68 26.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.461 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.768 HG21 ' HE3' ' A' ' 61' ' ' LYS . 90.1 t -101.53 133.87 43.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.94 0.4 . . . . 0.0 111.611 -179.609 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.447 ' HA ' HG22 ' A' ' 58' ' ' THR . 0.1 OUTLIER -100.21 -173.94 2.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.249 179.239 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.53 -4.94 59.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.588 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 12.0 t -108.98 22.73 15.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.883 0.373 . . . . 0.0 111.266 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 80.64 -18.18 9.37 Favored Glycine 0 CA--C 1.521 0.455 0 C-N-CA 120.696 -0.764 . . . . 0.0 113.466 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.35 132.19 52.32 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 117.126 0.463 . . . . 0.0 110.702 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.45 HG23 HG22 ' A' ' 95' ' ' VAL . 18.1 m -130.41 114.91 16.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.491 -179.643 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.672 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 36.1 m0 -93.66 105.66 17.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.171 179.083 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.539 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.8 OUTLIER -94.82 116.54 28.86 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.746 179.544 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.825 ' CB ' HD23 ' A' ' 10' ' ' LEU . 19.7 m-85 -124.83 160.7 28.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.36 0.6 . . . . 0.0 112.006 -179.613 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.674 ' OE1' HD22 ' A' ' 11' ' ' LEU . 7.2 tm-20 -127.68 107.39 9.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.063 -0.971 . . . . 0.0 109.668 178.689 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.504 ' HB3' ' HB2' ' A' ' 112' ' ' ARG . . . -55.39 128.93 36.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.561 -179.168 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.63 -31.83 72.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.657 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.0 m -117.99 155.46 30.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.583 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.468 ' HA ' ' CD2' ' A' ' 90' ' ' PHE . 3.9 m-85 -65.99 -45.98 79.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.061 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.35 -32.83 74.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.893 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.42 -34.71 78.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.208 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.612 ' O ' HG23 ' A' ' 116' ' ' VAL . 0.0 OUTLIER -56.71 -49.36 75.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.02 -179.725 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -68.04 -42.39 80.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.857 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 118' ' ' ALA . . . -55.12 -53.37 56.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.419 179.552 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.728 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 55.6 m95 -57.87 -53.39 58.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.863 179.015 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.713 HG13 HG11 ' A' ' 60' ' ' VAL . 86.5 t -55.84 -33.54 34.93 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 CA-C-O 120.937 0.398 . . . . 0.0 110.104 179.443 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -80.03 -29.56 39.34 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.26 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.438 ' HB2' HG22 ' A' ' 5' ' ' ILE . . . -68.74 -47.22 66.87 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.038 0.447 . . . . 0.0 110.447 179.605 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.698 HG13 HD21 ' A' ' 29' ' ' LEU . 3.3 mp -66.01 -46.45 88.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.115 179.421 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.616 ' HG2' HG21 ' A' ' 60' ' ' VAL . 3.8 mm-40 -66.42 -32.88 74.53 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.185 179.132 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 28.8 t -68.44 -46.04 70.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.557 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.833 ' CB ' HD13 ' A' ' 55' ' ' LEU . 2.3 mp0 -62.83 -33.91 76.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.302 179.566 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.451 ' HA ' ' O ' ' A' ' 55' ' ' LEU . 25.5 mt -74.26 -35.21 39.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.663 179.556 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 26.6 tp -68.76 -36.98 79.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.666 179.482 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.35 -31.44 58.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.021 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.424 ' HB3' HD12 ' A' ' 56' ' ' LEU . 37.6 m -80.82 -30.11 35.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.8 -30.69 69.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.806 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.937 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 120.896 0.379 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.47 140.95 29.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.034 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.2 mp -119.54 131.67 24.3 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.046 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -55.77 124.26 15.84 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.366 2.044 . . . . 0.0 112.473 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.635 ' O ' ' HD2' ' A' ' 6' ' ' LYS . 17.1 mm -82.79 -36.35 13.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.149 -0.932 . . . . 0.0 109.727 179.213 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.749 ' HD3' ' HB2' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -174.1 111.55 0.17 Allowed 'General case' 0 CA--C 1.507 -0.708 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.986 177.943 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.818 ' HB2' HG23 ' A' ' 28' ' ' THR . 0.2 OUTLIER -121.34 108.09 13.29 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.665 178.948 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -156.0 -175.0 5.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.12 -179.42 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.742 ' O ' HD12 ' A' ' 10' ' ' LEU . 3.1 m-85 -84.71 144.89 28.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.273 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 1.015 HD22 HG21 ' A' ' 27' ' ' VAL . 10.9 mp -135.48 160.94 36.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.259 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.496 HD23 ' HB2' ' A' ' 22' ' ' TRP . 1.1 tp -97.61 142.05 29.9 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 179.068 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.448 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.0 OUTLIER -129.39 109.23 10.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.819 0.343 . . . . 0.0 111.155 -179.622 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.434 ' HB3' ' CE2' ' A' ' 22' ' ' TRP . 8.8 ptt180 -60.68 147.96 40.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 179.692 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 26.2 t -141.17 100.3 3.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 143.39 -140.08 9.35 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.512 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -95.74 -175.13 3.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.807 0.337 . . . . 0.0 110.964 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.6 t -82.61 -42.33 18.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.8 mp -62.75 -42.16 99.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.836 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -111.93 82.34 1.61 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.678 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -78.2 157.91 29.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.374 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -167.89 99.32 0.46 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.843 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.564 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 3.7 m95 -94.44 143.63 26.25 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.488 -178.825 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -118.51 157.19 27.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.507 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -63.21 127.85 33.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.096 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.446 ' HG3' ' HB2' ' A' ' 12' ' ' LYS . 19.4 mmtt -129.34 -176.27 3.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.691 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.508 ' O ' ' HA ' ' A' ' 37' ' ' TYR . 39.4 t80 -139.69 114.94 9.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.534 -179.601 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 1.015 HG21 HD22 ' A' ' 10' ' ' LEU . 2.0 t -120.19 148.85 23.06 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.267 0 CA-C-O 121.012 0.434 . . . . 0.0 111.784 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.818 HG23 ' HB2' ' A' ' 7' ' ' GLN . 85.4 m -138.65 110.66 7.27 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.867 178.467 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.757 HD23 ' CZ3' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -88.83 114.01 24.99 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 178.258 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.5 p -101.61 154.83 18.51 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.148 0.499 . . . . 0.0 111.729 -178.254 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.8 t -74.96 -1.18 21.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.066 179.203 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -91.08 26.1 2.26 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-O 120.772 0.32 . . . . 0.0 111.019 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.4 ' HA2' ' HB3' ' A' ' 122' ' ' GLN . . . 55.32 43.26 84.55 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.567 -0.825 . . . . 0.0 111.555 -179.503 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.503 ' N ' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -139.31 123.99 18.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.03 0.443 . . . . 0.0 111.654 -179.395 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.823 HD23 HG21 ' A' ' 94' ' ' ILE . 1.1 tp -106.87 117.02 32.94 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.438 178.786 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.561 HD12 ' O ' ' A' ' 28' ' ' THR . 0.2 OUTLIER -115.48 142.6 46.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.007 0.432 . . . . 0.0 111.664 -179.106 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.508 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.5 OUTLIER -145.45 125.63 13.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.51 179.161 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.521 ' HB3' ' CB ' ' A' ' 43' ' ' ASP . 1.2 m80 -113.47 159.97 33.34 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.67 -179.468 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_exo -47.19 -49.88 12.08 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.627 2.218 . . . . 0.0 112.57 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.7 t -156.35 -173.03 4.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.132 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.678 HG22 HD12 ' A' ' 45' ' ' ILE . 3.4 mp -60.98 -43.25 95.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -51.93 -26.94 11.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.286 0.565 . . . . 0.0 110.088 179.231 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.759 ' HA ' HG23 ' A' ' 48' ' ' THR . 5.1 m-20 -76.98 -41.01 44.74 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.756 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -70.94 -51.31 26.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.271 0.558 . . . . 0.0 109.956 179.406 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.678 HD12 HG22 ' A' ' 41' ' ' ILE . 23.9 mt -56.37 -61.8 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.979 179.63 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 10.3 m80 -73.64 -24.99 60.09 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.942 -1.026 . . . . 0.0 111.831 -178.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 m 75.72 73.35 0.09 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.893 0.377 . . . . 0.0 112.008 178.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.759 HG23 ' HA ' ' A' ' 43' ' ' ASP . 30.8 p -89.34 -154.22 0.3 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.049 178.661 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 12.7 t-160 -39.18 -56.73 1.44 Allowed 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.918 0.39 . . . . 0.0 111.45 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.469 ' HA2' ' CD2' ' A' ' 38' ' ' HIS . . . 57.39 99.13 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.719 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.446 ' HB3' ' CD1' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -79.2 137.79 37.57 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.781 0.324 . . . . 0.0 111.108 -179.888 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.42 ' HB2' ' CE1' ' A' ' 34' ' ' PHE . 1.1 pt-20 -130.56 133.05 45.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.487 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.529 ' CE ' ' CG ' ' A' ' 102' ' ' TRP . 0.7 OUTLIER -118.36 122.49 42.98 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.591 -179.619 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.66 131.95 52.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.416 179.65 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.668 HD13 ' CB ' ' A' ' 122' ' ' GLN . 14.4 mt -95.07 23.86 5.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.347 -179.565 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.15 -56.31 3.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.781 0.324 . . . . 0.0 110.82 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -121.0 53.54 1.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.992 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.577 HG22 ' O ' ' A' ' 95' ' ' VAL . 0.3 OUTLIER -106.93 161.96 14.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 179.911 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.97 165.44 23.14 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.826 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.645 HG21 ' HG3' ' A' ' 120' ' ' GLU . 6.9 m -129.81 131.11 66.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.593 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.428 ' O ' ' HB2' ' A' ' 93' ' ' LEU . 17.0 ptpt -154.09 164.75 37.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.104 0.478 . . . . 0.0 111.813 -179.365 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.673 HG21 ' HA ' ' A' ' 67' ' ' PRO . 28.8 t -121.47 139.1 29.18 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.506 179.565 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.446 ' HG3' ' NE2' ' A' ' 103' ' ' HIS . 87.3 Cg_endo -86.21 141.86 7.16 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 122.537 2.158 . . . . 0.0 112.565 -179.625 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.04 -53.53 4.66 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.504 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.52 166.62 22.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.736 0.303 . . . . 0.0 110.997 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.6 mtm180 -71.15 163.16 67.96 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.868 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.673 ' HA ' HG21 ' A' ' 62' ' ' VAL . 14.3 Cg_endo -57.15 118.75 5.67 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.592 2.195 . . . . 0.0 112.089 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -50.58 139.5 38.3 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.612 2.208 . . . . 0.0 112.454 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -65.16 151.29 46.46 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.804 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.85 -50.58 16.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.047 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.0 mp -89.37 -49.32 14.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.19 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 58.33 84.97 0.1 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.945 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.77 17.64 10.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.745 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER 59.82 79.84 0.22 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -93.18 -177.75 40.4 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.478 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -52.33 173.17 0.13 Allowed 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.507 2.138 . . . . 0.0 112.272 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 98.2 p -153.04 142.99 22.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.54 -31.32 60.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.39 88.45 2.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -92.67 55.69 2.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.534 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.1 t -155.5 91.0 1.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.746 0.308 . . . . 0.0 110.93 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 59.88 -175.93 0.1 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.038 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 90.7 76.45 1.32 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.497 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.18 74.81 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.794 0.33 . . . . 0.0 110.855 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -121.2 117.84 28.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.999 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 59.44 31.06 20.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.783 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -61.08 -24.22 66.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.048 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -83.62 56.25 3.54 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.13 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 18.8 p-10 -105.44 104.39 14.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.431 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.509 ' CE1' ' CD2' ' A' ' 109' ' ' PHE . 4.6 m-85 -87.62 103.89 16.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.23 -179.534 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.41 ' HB3' ' HE1' ' A' ' 103' ' ' HIS . 26.0 mt-10 -146.63 132.78 19.35 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.458 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.633 ' CE1' HD11 ' A' ' 94' ' ' ILE . 18.9 p90 -128.47 148.79 50.75 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.89 0.376 . . . . 0.0 111.608 -179.595 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.453 HD23 ' HB2' ' A' ' 103' ' ' HIS . 3.6 mt -110.74 142.84 42.14 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.978 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.823 HG21 HD23 ' A' ' 35' ' ' LEU . 10.3 mm -115.33 108.49 25.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.254 179.419 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.577 ' O ' HG22 ' A' ' 58' ' ' THR . 99.6 t -98.56 128.51 50.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.993 0.425 . . . . 0.0 111.655 -179.359 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.501 ' HA ' HG22 ' A' ' 58' ' ' THR . 0.2 OUTLIER -91.47 -174.08 3.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.285 179.333 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 25.8 t -83.63 -20.2 34.09 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.2 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.5 t -100.21 24.11 9.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.857 0.361 . . . . 0.0 111.044 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 83.79 -20.53 11.83 Favored Glycine 0 CA--C 1.52 0.385 0 C-N-CA 120.657 -0.782 . . . . 0.0 113.292 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -48.51 124.99 8.97 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 117.1 0.45 . . . . 0.0 110.756 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.449 ' HA ' ' O ' ' A' ' 94' ' ' ILE . 10.9 m -125.08 114.83 19.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.044 0.45 . . . . 0.0 111.833 -179.304 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.641 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 35.7 m0 -96.74 109.08 21.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.385 178.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.564 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.8 OUTLIER -99.11 116.5 31.48 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.731 179.341 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.844 ' CB ' HD23 ' A' ' 10' ' ' LEU . 15.3 m-85 -125.47 160.17 30.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.361 0.6 . . . . 0.0 112.044 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.479 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 0.1 OUTLIER -127.68 105.79 8.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.56 178.655 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.662 ' HB3' ' HB2' ' A' ' 112' ' ' ARG . . . -52.75 127.94 24.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.67 -179.176 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.65 -27.55 62.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.748 179.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.57 159.12 24.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.537 179.63 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.509 ' CD2' ' CE1' ' A' ' 90' ' ' PHE . 2.5 m-30 -65.8 -55.66 15.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.051 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -64.43 -32.54 74.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.057 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.628 ' HB3' ' HB1' ' A' ' 106' ' ' ALA . 3.3 tt0 -56.51 -42.6 78.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.321 -179.614 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.81 ' O ' HG23 ' A' ' 116' ' ' VAL . 2.1 ttp85 -56.85 -49.73 74.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.777 0.322 . . . . 0.0 111.097 -179.716 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -62.66 -40.79 98.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.454 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.698 ' HB1' ' HE2' ' A' ' 6' ' ' LYS . . . -59.41 -53.4 58.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.201 179.215 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.757 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 45.4 m95 -56.5 -50.57 71.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.625 178.479 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 112' ' ' ARG . 60.5 t -57.06 -35.4 47.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.798 179.654 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.31 -33.89 49.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.578 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.749 ' HB2' ' HD3' ' A' ' 6' ' ' LYS . . . -67.42 -44.74 78.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.973 0.416 . . . . 0.0 110.29 179.393 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.666 HG13 HD21 ' A' ' 29' ' ' LEU . 1.6 mp -62.85 -50.93 77.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.736 178.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.91 ' HA ' HD12 ' A' ' 123' ' ' ILE . 1.2 mt-10 -65.33 -32.72 74.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.049 179.077 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 28.2 t -67.65 -44.06 78.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.505 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.668 ' CB ' HD13 ' A' ' 55' ' ' LEU . 66.7 mm-40 -64.19 -31.93 73.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.428 179.562 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.91 HD12 ' HA ' ' A' ' 120' ' ' GLU . 21.5 mt -68.98 -44.42 81.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.099 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.9 tt -64.72 -36.5 84.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.617 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.33 -31.16 57.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.95 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 4.5 m -78.24 -29.82 48.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 3.0 mt -75.49 -73.5 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.855 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.209 -0.901 . . . . 0.0 110.864 -179.941 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.82 0.343 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -119.69 172.67 7.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.4 ' O ' ' HB2' ' A' ' 31' ' ' SER . 10.6 mt -132.95 133.04 22.77 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.821 179.704 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -58.75 127.72 25.49 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.302 2.001 . . . . 0.0 112.283 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.468 ' HB ' ' HB3' ' A' ' 29' ' ' LEU . 18.4 mm -93.27 -19.72 6.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.275 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.612 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 0.0 OUTLIER 175.87 110.52 0.02 OUTLIER 'General case' 0 C--O 1.216 -0.705 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.122 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.734 ' HB3' HG23 ' A' ' 28' ' ' THR . 15.5 pt20 -131.31 114.64 15.26 Favored 'General case' 0 C--N 1.312 -1.039 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.577 179.55 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.25 -175.15 1.88 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.313 -179.665 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.548 ' CE1' HD11 ' A' ' 41' ' ' ILE . 3.8 m-85 -81.85 131.82 35.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.235 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.792 HD23 ' HB3' ' A' ' 104' ' ' PHE . 4.5 mp -125.27 153.66 42.88 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.341 179.585 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.492 ' CD2' ' HB2' ' A' ' 22' ' ' TRP . 1.5 tp -90.52 132.1 35.88 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.21 179.365 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.418 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.1 OUTLIER -118.48 110.41 17.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.127 -179.391 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.455 ' HB3' ' CE2' ' A' ' 22' ' ' TRP . 3.2 ptt180 -57.99 148.09 27.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.953 179.773 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.6 t -151.49 118.37 5.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 131.89 -152.62 20.18 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.582 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -80.38 168.96 18.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.782 0.325 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.1 t -73.0 -37.93 66.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 tt -67.75 -40.43 84.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -114.46 94.93 5.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.612 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.462 ' HD3' ' CZ2' ' A' ' 22' ' ' TRP . 18.5 mttt -81.28 159.77 24.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.23 -179.756 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -163.55 98.3 0.89 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.772 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.523 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 3.2 m95 -94.08 128.12 40.29 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.31 -178.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.88 160.12 15.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.302 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.0 mmtm -63.01 122.59 16.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.956 0.408 . . . . 0.0 110.734 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.3 tptt -122.21 179.78 4.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.713 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.52 ' CE1' ' CG ' ' A' ' 44' ' ' TYR . 46.7 t80 -139.27 115.1 10.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.245 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.636 HG23 ' HB2' ' A' ' 10' ' ' LEU . 2.0 t -122.7 147.53 26.85 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.316 0 CA-C-O 120.973 0.416 . . . . 0.0 111.808 -179.18 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.734 HG23 ' HB3' ' A' ' 7' ' ' GLN . 91.5 m -138.81 110.52 7.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.032 177.695 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.749 HD21 HG13 ' A' ' 119' ' ' ILE . 0.2 OUTLIER -89.44 115.57 26.98 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 177.822 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 29.0 t -105.47 160.77 14.89 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.028 0.442 . . . . 0.0 111.383 -178.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.4 ' HB2' ' O ' ' A' ' 3' ' ' ILE . 4.4 t -76.19 2.24 13.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.278 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -89.84 26.12 1.89 Allowed 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.748 0.308 . . . . 0.0 111.357 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 53.61 39.88 61.67 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.659 -0.782 . . . . 0.0 111.699 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.51 ' N ' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -138.94 127.73 23.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.09 0.471 . . . . 0.0 111.359 -179.423 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.925 HD23 HG21 ' A' ' 94' ' ' ILE . 1.6 tp -105.46 116.96 32.83 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.519 179.042 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.71 HD23 ' CG ' ' A' ' 52' ' ' GLU . 0.5 OUTLIER -112.83 147.66 36.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.048 0.451 . . . . 0.0 111.569 -179.002 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.466 ' CE1' ' CB ' ' A' ' 51' ' ' LYS . 0.3 OUTLIER -156.07 129.87 8.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.484 179.251 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.503 ' CD2' ' HA2' ' A' ' 50' ' ' GLY . 0.1 OUTLIER -120.03 158.39 50.43 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.737 -179.478 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -48.5 -42.02 35.76 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.715 2.276 . . . . 0.0 112.478 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 25.0 t -155.84 -172.43 4.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.811 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.801 HG22 HD12 ' A' ' 45' ' ' ILE . 3.2 mp -66.68 -43.25 90.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.799 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -52.04 -28.34 16.9 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.289 0.566 . . . . 0.0 110.116 179.12 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.425 ' HB2' ' CB ' ' A' ' 38' ' ' HIS . 1.3 m-20 -76.9 -39.09 52.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.776 179.531 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.52 ' CG ' ' CE1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -70.49 -51.23 30.5 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.205 0.526 . . . . 0.0 110.177 179.511 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.801 HD12 HG22 ' A' ' 41' ' ' ILE . 21.5 mt -59.57 -62.17 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.195 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.8 m80 -73.53 -24.59 60.16 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.798 -1.092 . . . . 0.0 112.231 -178.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.409 ' HA ' ' O ' ' A' ' 43' ' ' ASP . 1.8 m 77.72 74.21 0.06 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.896 0.379 . . . . 0.0 111.316 179.573 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 34.7 p -118.95 119.68 35.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 71.78 -59.84 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.541 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.503 ' HA2' ' CD2' ' A' ' 38' ' ' HIS . . . 45.29 90.06 0.01 OUTLIER Glycine 0 N--CA 1.453 -0.189 0 CA-C-N 115.466 -0.788 . . . . 0.0 113.219 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.466 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -80.54 130.29 35.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.735 0.302 . . . . 0.0 110.608 179.615 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.71 ' CG ' HD23 ' A' ' 36' ' ' LEU . 2.6 mt-10 -125.34 147.5 49.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.084 0.468 . . . . 0.0 110.953 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.697 ' HE2' ' CE2' ' A' ' 102' ' ' TRP . 0.6 OUTLIER -130.87 116.07 17.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.754 -179.741 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.4 p-10 -56.77 125.62 23.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.395 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.648 HD13 ' CB ' ' A' ' 122' ' ' GLN . 80.9 mt -93.74 33.05 1.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.533 -179.403 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.31 -53.69 5.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.834 0.35 . . . . 0.0 110.761 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.78 54.46 1.93 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.691 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.572 HG22 ' O ' ' A' ' 95' ' ' VAL . 0.2 OUTLIER -99.74 162.01 13.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.789 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.401 HG22 ' H ' ' A' ' 60' ' ' VAL . 0.2 OUTLIER -126.96 173.81 9.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.993 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.773 HG11 HG13 ' A' ' 116' ' ' VAL . 22.1 t -141.76 126.51 17.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.649 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.82 164.51 36.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.168 0.509 . . . . 0.0 111.896 -179.434 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.529 HG13 ' O ' ' A' ' 91' ' ' GLU . 3.4 t -119.67 142.03 32.15 Favored Pre-proline 0 C--N 1.332 -0.19 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.362 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.528 ' HD3' HD12 ' A' ' 93' ' ' LEU . 63.3 Cg_exo -51.66 90.32 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.334 2.022 . . . . 0.0 112.511 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.25 43.99 64.51 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.617 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.43 120.76 20.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.873 0.368 . . . . 0.0 110.978 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.46 ' HB2' ' HD2' ' A' ' 67' ' ' PRO . 9.0 ptp180 -57.98 164.98 2.85 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.763 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.466 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 77.5 Cg_exo -52.05 118.68 4.78 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.44 2.094 . . . . 0.0 112.124 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 67' ' ' PRO . 18.0 Cg_exo -66.98 59.52 0.58 Allowed 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.674 2.249 . . . . 0.0 112.99 -179.44 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.416 ' CD ' ' HB2' ' A' ' 67' ' ' PRO . 0.0 OUTLIER -85.67 75.05 10.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.736 179.601 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.08 -31.63 63.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.282 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.3 mp -82.41 -67.11 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.075 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.34 101.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.116 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.91 17.7 10.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.789 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -71.86 80.79 0.89 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.83 -170.61 39.95 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.415 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.64 -171.04 0.5 Allowed 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.454 2.103 . . . . 0.0 112.331 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.9 m -105.44 143.19 33.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.28 -44.73 51.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.166 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.6 m 56.65 83.89 0.09 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.968 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 172.31 -125.57 1.18 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.459 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 74.4 p -88.82 132.83 34.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.761 0.315 . . . . 0.0 110.83 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -175.69 -175.49 0.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.03 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -59.03 132.04 52.31 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.346 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -120.45 72.79 0.97 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.949 0.404 . . . . 0.0 110.916 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -97.19 115.91 28.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.184 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -98.7 31.48 2.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.818 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -66.3 -54.78 20.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.956 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 53.6 25.83 5.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.028 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -80.95 106.24 12.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.739 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.498 ' CZ ' ' CD2' ' A' ' 109' ' ' PHE . 4.2 m-85 -94.86 103.8 15.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.31 -179.725 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.529 ' O ' HG13 ' A' ' 62' ' ' VAL . 15.9 mp0 -151.05 139.25 20.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.253 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.646 ' CE2' HD11 ' A' ' 94' ' ' ILE . 3.3 p90 -133.38 145.63 50.51 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.96 0.409 . . . . 0.0 111.323 -179.551 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.528 HD12 ' HD3' ' A' ' 63' ' ' PRO . 0.8 OUTLIER -109.11 139.67 43.7 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.072 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.925 HG21 HD23 ' A' ' 35' ' ' LEU . 12.2 mm -110.31 108.46 25.48 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.09 179.543 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.572 ' O ' HG22 ' A' ' 58' ' ' THR . 87.3 t -103.38 134.66 43.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.219 0.533 . . . . 0.0 112.169 -179.078 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.55 ' OG ' HG22 ' A' ' 98' ' ' THR . 0.1 OUTLIER -102.38 179.27 4.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.45 -0.796 . . . . 0.0 109.871 178.825 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.41 ' N ' ' OG ' ' A' ' 96' ' ' SER . 0.0 OUTLIER -80.74 -6.45 58.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.68 -0.236 . . . . 0.0 111.513 -179.808 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.55 HG22 ' OG ' ' A' ' 96' ' ' SER . 11.3 t -108.22 22.26 16.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.991 0.424 . . . . 0.0 111.212 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 82.69 -21.21 7.83 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 120.732 -0.747 . . . . 0.0 113.272 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.05 123.39 10.37 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.954 0.377 . . . . 0.0 110.721 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.567 HG23 HG22 ' A' ' 95' ' ' VAL . 8.8 m -127.83 114.68 17.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.973 0.416 . . . . 0.0 111.597 -179.498 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.697 ' CE2' ' HE2' ' A' ' 53' ' ' MET . 35.7 m0 -97.71 108.02 20.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.31 178.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.523 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.8 OUTLIER -97.78 116.3 29.72 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.718 179.357 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.792 ' HB3' HD23 ' A' ' 10' ' ' LEU . 19.0 m-85 -123.27 166.93 14.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.307 0.575 . . . . 0.0 111.638 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.425 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 0.4 OUTLIER -132.23 106.18 7.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.953 179.087 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.655 ' HB3' ' HB2' ' A' ' 112' ' ' ARG . . . -52.39 127.94 23.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.649 -179.277 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.31 -27.47 67.35 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.739 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.21 158.58 29.11 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.678 179.726 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.498 ' CD2' ' CZ ' ' A' ' 90' ' ' PHE . 2.7 m-85 -66.16 -43.27 87.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.038 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -73.48 -32.82 64.51 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.009 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -61.05 -39.26 89.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.183 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.713 ' NH1' HG21 ' A' ' 116' ' ' VAL . 1.7 ttt-85 -56.76 -49.47 75.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.133 -179.712 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.26 -47.3 84.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.962 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -53.28 -52.39 59.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.742 0.306 . . . . 0.0 110.573 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.705 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 52.3 m95 -56.6 -52.29 65.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.973 179.088 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.773 HG13 HG11 ' A' ' 60' ' ' VAL . 66.7 t -55.35 -36.53 40.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.928 0.394 . . . . 0.0 110.302 179.51 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -78.79 -29.41 44.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.517 179.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.412 ' CB ' HG22 ' A' ' 5' ' ' ILE . . . -67.21 -48.42 67.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.169 0.509 . . . . 0.0 110.393 179.469 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.749 HG13 HD21 ' A' ' 29' ' ' LEU . 3.1 mp -63.79 -49.84 80.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.113 179.232 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.462 ' HA ' HD12 ' A' ' 123' ' ' ILE . 37.6 mt-10 -64.04 -32.7 74.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.943 0.401 . . . . 0.0 110.207 179.236 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.8 m -64.93 -44.42 89.53 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.774 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.648 ' CB ' HD13 ' A' ' 55' ' ' LEU . 0.8 OUTLIER -68.33 -33.07 73.64 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.678 179.872 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.462 HD12 ' HA ' ' A' ' 120' ' ' GLU . 20.2 mt -74.18 -36.51 43.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.785 179.509 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.75 -35.04 76.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.657 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.4 -33.6 58.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.95 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 8.5 t -77.7 -30.32 51.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.6 mt -69.67 -43.93 71.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.995 0.426 . . . . 0.0 110.856 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.88 179.886 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.488 1.449 0 CA-C-O 120.857 0.36 . . . . 0.0 111.179 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.64 146.52 46.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.151 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.414 ' CG2' ' HD2' ' A' ' 4' ' ' PRO . 15.0 mt -124.7 136.34 27.8 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.813 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.414 ' HD2' ' CG2' ' A' ' 3' ' ' ILE . 36.2 Cg_endo -65.91 127.08 17.03 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.348 2.032 . . . . 0.0 112.332 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.531 ' N ' ' O ' ' A' ' 29' ' ' LEU . 29.1 mm -90.06 -20.55 6.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.183 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.618 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 0.0 OUTLIER 178.98 110.54 0.03 OUTLIER 'General case' 0 C--O 1.216 -0.677 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.04 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.893 ' HB3' HG23 ' A' ' 28' ' ' THR . 10.7 pt20 -131.17 111.67 12.16 Favored 'General case' 0 C--N 1.312 -1.043 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.705 179.43 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.3 m -168.48 -175.1 2.4 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.526 ' CD1' HD11 ' A' ' 41' ' ' ILE . 1.5 m-85 -79.34 132.21 36.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.064 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.874 HD23 ' HB3' ' A' ' 104' ' ' PHE . 4.5 mp -126.6 146.88 49.99 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.598 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.451 ' CD2' ' HB2' ' A' ' 22' ' ' TRP . 1.1 mp -81.9 135.81 35.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.15 179.504 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.41 ' CB ' ' HD3' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -129.24 114.81 16.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.945 0.403 . . . . 0.0 111.234 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.448 ' CB ' ' HD2' ' A' ' 20' ' ' LYS . 11.6 ptt180 -53.25 148.1 9.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.183 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 59.5 p -112.93 -52.25 2.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.96 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -165.76 -172.84 33.61 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.628 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 64.03 128.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.856 0.36 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.3 p -86.53 -57.25 3.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.015 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.1 mt -59.05 -57.44 13.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.855 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -107.4 77.1 1.12 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.447 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.448 ' HD2' ' CB ' ' A' ' 13' ' ' ARG . 6.9 mmtt -52.25 -177.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.491 -179.467 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -164.32 98.01 0.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.196 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.563 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 3.2 m95 -98.5 126.95 44.24 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.218 -179.261 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.6 152.56 18.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.588 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.01 111.93 2.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.748 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.41 ' HD3' ' CB ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -110.77 -174.06 2.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.776 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.503 ' CE1' ' CG ' ' A' ' 44' ' ' TYR . 50.8 t80 -141.27 117.16 10.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.515 -179.746 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.745 ' CG1' HD11 ' A' ' 35' ' ' LEU . 2.0 t -124.88 147.92 29.4 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.31 0 CA-C-O 120.961 0.41 . . . . 0.0 111.751 -179.491 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.893 HG23 ' HB3' ' A' ' 7' ' ' GLN . 87.4 m -138.83 110.98 7.33 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.863 177.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.755 HD22 HD13 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -88.98 115.88 26.86 Favored 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 178.19 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.9 t -104.05 162.58 13.04 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.917 0.389 . . . . 0.0 111.402 -178.522 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.6 t -80.51 4.36 18.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.18 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -91.63 26.25 2.4 Favored 'General case' 0 CA--C 1.522 -0.112 0 CA-C-O 120.805 0.336 . . . . 0.0 111.283 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 54.63 37.25 60.63 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.51 -0.853 . . . . 0.0 111.545 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.434 ' CE2' ' HB2' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -139.46 133.86 31.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.994 0.426 . . . . 0.0 111.373 -179.536 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.842 HD23 HG21 ' A' ' 94' ' ' ILE . 1.3 tp -113.98 117.0 30.11 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.856 179.053 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.655 ' N ' HD12 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -112.96 151.34 30.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.058 -179.578 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.476 ' HB3' HG13 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -158.7 136.32 10.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.716 179.549 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.506 ' CD2' ' HA2' ' A' ' 50' ' ' GLY . 0.2 OUTLIER -118.58 160.27 40.73 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.852 -179.684 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.07 -34.95 70.36 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.584 2.19 . . . . 0.0 112.299 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.23 179.58 8.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.676 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.808 HG22 HD12 ' A' ' 45' ' ' ILE . 3.3 mp -61.7 -43.98 98.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.868 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -51.88 -28.6 16.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.4 0.619 . . . . 0.0 110.127 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.462 ' CB ' ' HB3' ' A' ' 38' ' ' HIS . 1.4 m-20 -76.96 -39.38 50.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.748 179.534 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.503 ' CG ' ' CE1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -70.57 -51.28 29.48 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.268 0.556 . . . . 0.0 110.199 179.528 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.808 HD12 HG22 ' A' ' 41' ' ' ILE . 22.2 mt -58.75 -61.8 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.132 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.402 ' O ' ' CB ' ' A' ' 47' ' ' SER . 8.9 m80 -73.52 -24.52 60.16 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.797 -1.092 . . . . 0.0 112.075 -178.693 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.402 ' CB ' ' O ' ' A' ' 46' ' ' HIS . 4.2 t 78.61 74.95 0.05 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.881 0.372 . . . . 0.0 111.557 179.29 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 41.7 p -121.18 116.01 24.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 179.423 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 75.8 -61.24 0.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.412 -179.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.506 ' HA2' ' CD2' ' A' ' 38' ' ' HIS . . . 43.24 88.39 0.01 OUTLIER Glycine 0 N--CA 1.453 -0.208 0 CA-C-N 115.409 -0.814 . . . . 0.0 113.298 179.46 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.445 ' HB2' ' CD1' ' A' ' 37' ' ' TYR . 0.4 OUTLIER -74.6 159.06 32.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.754 0.311 . . . . 0.0 110.519 179.561 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.469 ' HA ' ' O ' ' A' ' 35' ' ' LEU . 4.0 pt-20 -161.75 154.02 19.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.984 0.421 . . . . 0.0 110.893 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.684 ' HE3' ' CE2' ' A' ' 102' ' ' TRP . 7.2 ptp -142.66 152.9 42.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.247 -179.587 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.53 ' O ' HG23 ' A' ' 58' ' ' THR . 0.7 OUTLIER -81.17 124.22 29.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.815 178.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.79 HD13 ' CB ' ' A' ' 122' ' ' GLN . 8.6 mt -90.15 22.41 3.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.687 -179.345 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.6 tt -83.19 -40.86 19.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.722 0.296 . . . . 0.0 110.916 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 30.1 mtp85 -130.83 43.95 3.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.035 0.445 . . . . 0.0 110.955 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.624 HG22 ' O ' ' A' ' 95' ' ' VAL . 0.6 OUTLIER -92.15 161.9 14.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.985 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.41 165.28 24.64 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.456 179.541 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 93' ' ' LEU . 2.7 m -130.86 130.38 64.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.735 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.481 ' HE3' HG21 ' A' ' 95' ' ' VAL . 11.3 mttt -138.33 164.48 29.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.077 0.465 . . . . 0.0 111.546 -179.42 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 24.3 t -132.48 122.17 17.79 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.627 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.469 ' HD3' HD12 ' A' ' 93' ' ' LEU . 96.4 Cg_endo -87.88 122.57 1.63 Allowed 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 122.758 2.305 . . . . 0.0 113.116 -179.37 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.38 -55.25 5.02 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.904 -0.665 . . . . 0.0 113.081 179.332 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.13 150.51 35.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.885 0.374 . . . . 0.0 111.26 -179.538 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.417 ' CB ' ' HD2' ' A' ' 67' ' ' PRO . 19.7 mtp180 -78.01 166.22 45.03 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.71 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.417 ' HD2' ' CB ' ' A' ' 66' ' ' ARG . 9.7 Cg_endo -53.01 118.79 5.17 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.472 2.115 . . . . 0.0 112.048 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.51 140.52 40.05 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.46 2.107 . . . . 0.0 112.333 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 69.9 mtt-85 -64.28 147.53 52.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.84 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.1 -52.22 15.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.075 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 25.7 mt -137.85 -66.4 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.205 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.7 m -163.86 110.21 1.09 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.028 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.74 17.66 10.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.708 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 1.1 t80 62.74 94.09 0.05 OUTLIER 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.932 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -136.82 -177.94 15.42 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.445 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.5 -27.71 33.25 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.516 2.144 . . . . 0.0 112.359 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.0 p -67.18 84.91 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.859 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -90.23 -63.42 1.28 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.101 0.477 . . . . 0.0 111.128 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.65 -155.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.558 -179.632 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 70.27 -109.02 2.68 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.499 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.04 -174.59 3.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.791 0.329 . . . . 0.0 110.78 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -169.12 86.91 0.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.057 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -95.27 23.07 35.2 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.616 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -126.12 -43.16 1.82 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.925 0.393 . . . . 0.0 110.943 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -101.34 116.91 33.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.018 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.28 48.03 0.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.989 0.423 . . . . 0.0 110.85 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -59.47 -43.72 93.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.915 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.431 ' HA ' ' CE2' ' A' ' 109' ' ' PHE . 8.9 pt-20 43.84 61.52 2.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.527 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -139.51 103.49 4.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.788 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.567 ' CD1' ' N ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -123.69 109.64 13.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.031 -179.823 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -143.49 129.99 20.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.364 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.663 ' CE1' HD11 ' A' ' 94' ' ' ILE . 13.5 p90 -125.34 147.04 49.3 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.994 0.426 . . . . 0.0 111.319 -179.553 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.469 HD12 ' HD3' ' A' ' 63' ' ' PRO . 5.6 mt -107.11 140.26 40.22 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.654 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.842 HG21 HD23 ' A' ' 35' ' ' LEU . 11.4 mm -116.69 112.29 38.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.869 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.624 ' O ' HG22 ' A' ' 58' ' ' THR . 62.0 t -102.77 127.65 56.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.853 0.359 . . . . 0.0 111.421 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.608 ' HA ' HG22 ' A' ' 58' ' ' THR . 36.9 t -89.7 -175.29 4.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.472 179.421 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.8 t -82.0 -12.98 58.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.372 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.1 t -102.89 24.51 10.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.852 0.358 . . . . 0.0 111.155 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 77.73 -8.47 35.41 Favored Glycine 0 CA--C 1.521 0.426 0 C-N-CA 120.764 -0.731 . . . . 0.0 113.46 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.79 141.51 55.14 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 117.267 0.534 . . . . 0.0 110.529 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.429 HG23 HG22 ' A' ' 95' ' ' VAL . 4.3 m -134.93 114.88 12.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.95 0.405 . . . . 0.0 111.665 -179.652 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.684 ' CE2' ' HE3' ' A' ' 53' ' ' MET . 33.7 m0 -101.21 105.68 16.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.572 179.233 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.563 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.8 OUTLIER -91.26 116.34 28.75 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.556 -0.457 . . . . 0.0 110.275 179.136 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.874 ' HB3' HD23 ' A' ' 10' ' ' LEU . 21.8 m-85 -123.01 161.19 24.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.395 0.617 . . . . 0.0 112.003 -179.537 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.464 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 34.1 tt0 -131.8 104.27 6.79 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.21 -0.905 . . . . 0.0 109.66 178.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.625 ' HB2' ' HA ' ' A' ' 112' ' ' ARG . . . -49.35 126.02 12.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.866 -179.09 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.96 -31.38 72.47 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.315 179.313 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -119.29 146.65 45.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.445 179.425 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.557 ' CE1' ' CD1' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -61.01 -34.38 74.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.319 -179.564 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -73.72 -32.66 64.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.929 0.395 . . . . 0.0 110.841 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -71.3 -34.35 70.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.385 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.625 ' HA ' ' HB2' ' A' ' 106' ' ' ALA . 0.0 OUTLIER -56.8 -42.38 79.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.723 0.297 . . . . 0.0 110.957 -179.636 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -74.65 -46.53 37.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.583 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 118' ' ' ALA . . . -52.71 -52.79 54.63 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.29 179.432 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.698 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 52.8 m95 -56.76 -55.48 33.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.853 179.008 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 112' ' ' ARG . 75.6 t -54.06 -34.81 27.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 CA-C-O 121.072 0.463 . . . . 0.0 110.056 179.422 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.501 ' HA ' ' HG2' ' A' ' 120' ' ' GLU . 10.1 mt-30 -79.09 -27.8 42.98 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.26 178.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.45 ' HB2' HG22 ' A' ' 5' ' ' ILE . . . -71.57 -42.81 67.34 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.448 179.508 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.666 HG13 HD21 ' A' ' 29' ' ' LEU . 2.7 mp -67.01 -49.31 74.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.256 179.5 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.892 ' HA ' HD12 ' A' ' 123' ' ' ILE . 12.6 pt-20 -66.16 -32.68 74.26 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.904 0.383 . . . . 0.0 110.17 179.139 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 9.8 t -64.2 -41.48 97.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.309 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.79 ' CB ' HD13 ' A' ' 55' ' ' LEU . 57.6 mm-40 -67.85 -34.23 76.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.393 179.552 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.892 HD12 ' HA ' ' A' ' 120' ' ' GLU . 12.3 mt -70.46 -37.67 71.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.967 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 10.0 tp -68.56 -39.33 81.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.3 -29.16 57.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.043 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.1 m -84.05 -29.46 26.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.048 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.3 mt -59.18 -42.49 90.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.982 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.299 -0.858 . . . . 0.0 110.945 179.987 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.6 tpp180 . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.924 0.392 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.438 ' O ' HD13 ' A' ' 3' ' ' ILE . . . -120.55 165.72 14.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.438 HD13 ' O ' ' A' ' 2' ' ' ALA . 21.0 mm -128.64 144.06 50.81 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.807 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.402 ' HD2' ' CG2' ' A' ' 3' ' ' ILE . 12.0 Cg_exo -70.22 127.88 14.83 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.589 2.193 . . . . 0.0 112.393 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.56 ' N ' HD12 ' A' ' 5' ' ' ILE . 1.4 mp -91.91 -19.81 6.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.018 179.526 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.604 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 0.0 OUTLIER -178.44 110.1 0.06 Allowed 'General case' 0 C--O 1.219 -0.54 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.044 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.851 ' HB3' HG23 ' A' ' 28' ' ' THR . 12.7 pt20 -131.61 116.2 17.08 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-O 120.867 0.365 . . . . 0.0 110.242 178.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.8 p -171.12 -175.98 1.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.383 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.566 ' CE1' HD11 ' A' ' 41' ' ' ILE . 2.2 m-30 -80.83 122.53 27.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.156 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.839 HD23 ' HB3' ' A' ' 104' ' ' PHE . 4.7 mp -115.62 156.51 25.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.424 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' A' ' 104' ' ' PHE . 1.2 tp -94.86 130.38 41.47 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.361 179.325 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.459 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.1 OUTLIER -113.3 112.43 23.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.887 0.375 . . . . 0.0 110.924 -179.678 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.8 ttp180 -59.26 148.01 33.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.876 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.9 m -154.68 84.23 1.1 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.974 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 164.38 -103.95 0.22 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.456 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -157.1 -176.6 6.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.795 0.331 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.45 -43.26 27.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.2 tt -60.24 -36.12 77.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.829 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -137.23 75.89 1.55 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.678 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.5 168.48 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.141 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -177.45 102.57 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.11 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.57 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 3.3 m95 -105.1 150.58 24.89 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.44 -179.019 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.63 153.12 38.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.491 179.564 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.17 120.87 12.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.907 0.384 . . . . 0.0 111.08 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.469 ' HE2' ' CE2' ' A' ' 37' ' ' TYR . 4.4 mmmm -126.62 166.77 16.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.409 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.485 ' CE1' ' CG ' ' A' ' 44' ' ' TYR . 47.6 t80 -123.26 115.28 21.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.609 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.693 HG23 ' HB2' ' A' ' 10' ' ' LEU . 1.9 t -119.82 149.3 22.5 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.336 0 CA-C-O 121.053 0.454 . . . . 0.0 111.515 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.851 HG23 ' HB3' ' A' ' 7' ' ' GLN . 93.6 m -138.67 121.36 16.36 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.121 177.458 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.751 HD23 ' CZ3' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -99.65 113.16 25.42 Favored 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 178.206 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.451 ' C ' HD13 ' A' ' 5' ' ' ILE . 37.5 t -103.09 164.08 11.83 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.138 0.494 . . . . 0.0 111.364 -178.302 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.512 ' HB2' HD11 ' A' ' 5' ' ' ILE . 6.6 t -80.55 4.84 17.09 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.178 179.61 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -92.99 26.06 2.96 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.751 0.31 . . . . 0.0 111.153 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 53.16 41.42 61.0 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.681 -0.771 . . . . 0.0 111.951 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.533 ' N ' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -139.26 126.86 21.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.007 0.432 . . . . 0.0 111.513 -179.397 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.965 HD23 HG21 ' A' ' 94' ' ' ILE . 1.6 tp -106.43 117.22 33.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.664 179.068 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.863 HD23 ' CG ' ' A' ' 52' ' ' GLU . 0.2 OUTLIER -115.48 144.55 43.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.017 0.437 . . . . 0.0 111.64 -179.095 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.469 ' CE2' ' HE2' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -150.1 125.14 9.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.403 179.175 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.489 ' HB3' ' CB ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -114.98 161.78 27.42 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.76 -179.184 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.43 ' HD2' ' HB3' ' A' ' 38' ' ' HIS . 86.3 Cg_exo -47.4 -51.8 8.98 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.667 2.245 . . . . 0.0 112.731 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.32 -171.49 3.93 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.098 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.753 HG22 HD12 ' A' ' 45' ' ' ILE . 3.2 mp -64.28 -41.32 92.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.954 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -51.83 -27.17 11.63 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.349 0.595 . . . . 0.0 110.004 179.179 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.742 ' HA ' HG23 ' A' ' 48' ' ' THR . 3.5 m-20 -76.85 -41.2 44.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.827 179.625 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.485 ' CG ' ' CE1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -70.35 -51.15 32.07 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.31 0.576 . . . . 0.0 110.103 179.417 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.753 HD12 HG22 ' A' ' 41' ' ' ILE . 25.0 mt -57.09 -61.9 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.36 -0.837 . . . . 0.0 111.024 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -73.6 -24.86 60.11 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.902 -178.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.9 m 75.12 72.57 0.09 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.973 0.415 . . . . 0.0 111.907 178.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.742 HG23 ' HA ' ' A' ' 43' ' ' ASP . 30.1 p -89.51 -153.58 0.28 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.059 -0.518 . . . . 0.0 109.902 178.649 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -38.07 -57.2 1.08 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.942 0.401 . . . . 0.0 111.212 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.455 ' CA ' ' CD2' ' A' ' 38' ' ' HIS . . . 55.36 97.45 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.39 0 CA-C-N 115.908 -0.587 . . . . 0.0 113.017 179.476 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.438 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . 1.7 mmtp -70.34 149.59 47.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.637 0.256 . . . . 0.0 110.805 179.692 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.863 ' CG ' HD23 ' A' ' 36' ' ' LEU . 10.7 mt-10 -140.45 133.28 29.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.024 0.44 . . . . 0.0 110.835 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.54 ' CE ' ' CG ' ' A' ' 102' ' ' TRP . 0.6 OUTLIER -121.04 119.0 31.23 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.398 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.8 128.91 39.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.382 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.909 HD13 ' CB ' ' A' ' 122' ' ' GLN . 17.0 mt -93.7 30.3 1.82 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.484 -179.334 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.39 -61.63 1.79 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.78 0.324 . . . . 0.0 110.888 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -118.95 47.5 1.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.783 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.533 HG22 ' O ' ' A' ' 95' ' ' VAL . 0.4 OUTLIER -94.58 162.08 13.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.091 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.27 170.9 12.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.582 179.633 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.416 ' HA ' ' O ' ' A' ' 93' ' ' LEU . 5.0 m -139.23 122.52 18.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.648 179.741 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.89 155.0 44.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.039 0.447 . . . . 0.0 111.873 -179.458 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.493 HG13 ' HD2' ' A' ' 63' ' ' PRO . 42.3 t -89.73 139.35 27.81 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.658 179.711 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.493 ' HD2' HG13 ' A' ' 62' ' ' VAL . 18.2 Cg_endo -58.43 80.78 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.7 2.267 . . . . 0.0 112.629 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 45.98 34.22 5.63 Favored Glycine 0 CA--C 1.518 0.262 0 C-N-CA 121.073 -0.584 . . . . 0.0 113.03 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.479 ' HB2' HG12 ' A' ' 62' ' ' VAL . 6.7 mttt -119.25 131.14 55.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.844 0.354 . . . . 0.0 111.026 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.444 ' HB2' ' HD2' ' A' ' 67' ' ' PRO . 6.1 ptp180 -56.49 164.61 1.95 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.802 179.74 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.444 ' HD2' ' HB2' ' A' ' 66' ' ' ARG . 61.6 Cg_exo -52.25 118.47 4.62 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.323 2.015 . . . . 0.0 112.199 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.54 114.76 2.03 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.538 2.159 . . . . 0.0 112.508 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.77 -178.5 4.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -76.57 -56.25 4.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.064 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 24.1 mm -100.26 -28.96 3.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.128 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.7 t 62.41 -176.75 0.14 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.948 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.66 17.55 10.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.725 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -92.87 145.23 24.55 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -115.82 155.68 16.12 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.555 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 99.67 0.76 Allowed 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.529 2.153 . . . . 0.0 112.347 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.8 t -61.49 110.37 1.44 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.7 -31.42 71.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.0 p -87.45 109.14 19.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.954 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 125.93 43.39 0.28 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.474 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.4 p 58.92 172.91 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.789 0.328 . . . . 0.0 111.022 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -96.46 -178.21 4.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.105 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 104.98 -107.72 2.93 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.456 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 60.59 89.79 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.862 0.363 . . . . 0.0 110.863 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -100.63 31.97 3.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.209 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -127.84 31.46 5.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.787 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -64.32 -27.28 68.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.966 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -129.53 59.12 1.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.031 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -59.68 104.09 0.25 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.609 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.488 ' CG ' ' HG2' ' A' ' 112' ' ' ARG . 82.5 m-85 -90.02 136.31 33.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.697 -179.432 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.53 ' HB3' ' HE1' ' A' ' 103' ' ' HIS . 3.9 mp0 -143.93 129.92 19.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.028 179.477 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.567 ' CE2' HD11 ' A' ' 94' ' ' ILE . 2.8 p90 -129.84 137.81 50.65 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.984 0.421 . . . . 0.0 111.39 -179.668 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.416 ' O ' ' HA ' ' A' ' 60' ' ' VAL . 0.7 OUTLIER -106.02 143.37 34.25 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.203 -179.616 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.965 HG21 HD23 ' A' ' 35' ' ' LEU . 19.3 mm -112.38 108.65 26.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.626 179.703 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.805 HG22 HG23 ' A' ' 101' ' ' THR . 92.5 t -101.06 130.51 50.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.96 0.409 . . . . 0.0 111.632 -179.657 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.505 ' HA ' HG22 ' A' ' 58' ' ' THR . 0.1 OUTLIER -94.6 -174.17 3.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.249 179.352 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 p -83.39 -19.22 36.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.255 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.0 t -100.03 23.9 9.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.867 0.365 . . . . 0.0 111.155 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 83.52 -20.46 11.29 Favored Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.634 -0.793 . . . . 0.0 113.372 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 15.0 tp60 -48.64 123.9 7.5 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 117.146 0.473 . . . . 0.0 110.79 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.805 HG23 HG22 ' A' ' 95' ' ' VAL . 1.3 m -126.27 114.82 18.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.876 0.369 . . . . 0.0 111.839 -179.396 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.675 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 35.4 m0 -98.39 105.61 17.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.151 178.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.57 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.8 OUTLIER -92.32 116.55 29.07 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.676 179.678 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.839 ' HB3' HD23 ' A' ' 10' ' ' LEU . 21.7 m-85 -124.36 159.9 29.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.435 0.635 . . . . 0.0 112.212 -179.606 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.443 ' HB2' ' CE3' ' A' ' 22' ' ' TRP . 1.1 tt0 -124.75 108.22 11.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.1 -0.954 . . . . 0.0 109.771 179.074 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.599 ' HB2' ' HA ' ' A' ' 112' ' ' ARG . . . -52.99 119.03 4.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.602 -179.404 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.72 -37.24 75.71 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.522 179.457 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.61 139.84 46.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.22 179.357 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.428 ' CG ' ' HE2' ' A' ' 90' ' ' PHE . 6.8 m-30 -56.22 -36.06 68.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.198 -179.581 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -74.37 -37.91 63.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.259 0.552 . . . . 0.0 110.693 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.41 -32.02 71.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.516 -179.547 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.659 ' O ' HG23 ' A' ' 116' ' ' VAL . 2.3 ppt_? -56.72 -40.62 76.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.765 0.317 . . . . 0.0 110.835 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -74.84 -45.6 42.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.561 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -54.08 -52.81 59.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.326 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.751 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 57.5 m95 -57.72 -55.28 36.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.655 178.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 112' ' ' ARG . 73.4 t -53.32 -36.13 25.78 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-O 120.869 0.366 . . . . 0.0 110.041 179.596 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -77.29 -29.75 53.89 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.688 178.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.518 ' HB2' HG22 ' A' ' 5' ' ' ILE . . . -67.85 -41.82 82.33 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.452 179.379 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.615 HD12 HD21 ' A' ' 29' ' ' LEU . 2.0 mm -66.75 -51.58 54.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.156 179.404 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -64.78 -32.76 74.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.393 179.396 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 22.9 t -66.84 -41.48 87.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.538 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.909 ' CB ' HD13 ' A' ' 55' ' ' LEU . 65.0 mm-40 -69.53 -35.93 75.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.379 179.633 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.496 HG22 HD23 ' A' ' 127' ' ' LEU . 16.0 mt -73.32 -33.15 40.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.71 179.488 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.7 tt -68.52 -37.89 80.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.434 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.36 -30.13 57.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 15.2 m -82.15 -30.13 31.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.968 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.496 HD23 HG22 ' A' ' 123' ' ' ILE . 0.2 OUTLIER -57.79 -31.08 66.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.026 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.957 179.986 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 21.0 mtm180 . . . . . 0 N--CA 1.485 1.31 0 CA-C-O 120.863 0.363 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.13 167.56 10.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.029 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.426 ' CG2' ' HD2' ' A' ' 4' ' ' PRO . 11.9 mt -135.43 136.86 24.94 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.888 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.426 ' HD2' ' CG2' ' A' ' 3' ' ' ILE . 20.9 Cg_endo -60.92 130.34 32.44 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.332 2.022 . . . . 0.0 112.242 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.461 HG22 ' HB2' ' A' ' 118' ' ' ALA . 45.9 mm -91.2 -21.79 6.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.698 179.702 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.616 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 0.0 OUTLIER 179.95 110.6 0.04 OUTLIER 'General case' 0 C--O 1.218 -0.575 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 179.079 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.702 ' HB2' HG23 ' A' ' 28' ' ' THR . 0.5 OUTLIER -127.91 110.68 12.79 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-O 120.936 0.398 . . . . 0.0 110.7 179.679 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.02 -175.21 3.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.89 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.502 ' C ' HD12 ' A' ' 10' ' ' LEU . 2.6 m-85 -84.49 145.51 28.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.956 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.788 HD23 ' HB3' ' A' ' 104' ' ' PHE . 6.6 mp -137.19 153.63 50.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.824 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.503 HD23 ' HB2' ' A' ' 22' ' ' TRP . 1.0 OUTLIER -87.64 137.66 32.14 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.256 179.38 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.462 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.0 OUTLIER -129.65 123.84 32.21 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.834 0.35 . . . . 0.0 111.427 -179.389 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.467 ' HG3' ' CE2' ' A' ' 22' ' ' TRP . 23.4 mtp180 -54.67 148.17 13.17 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.009 179.563 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.5 m -118.85 -38.67 3.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.955 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -93.73 -145.28 17.23 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.613 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -107.22 -178.26 3.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.798 0.332 . . . . 0.0 111.025 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 83.2 p -60.43 -44.89 95.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.29 -33.16 69.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -132.58 87.74 2.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.801 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -71.05 154.26 41.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.171 0.51 . . . . 0.0 111.18 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -172.14 101.1 0.16 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.826 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.511 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 2.8 m95 -98.07 143.63 28.41 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.337 -178.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.9 158.88 28.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.488 179.64 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.86 124.03 20.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.849 0.356 . . . . 0.0 110.815 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.406 ' HD2' ' HB3' ' A' ' 12' ' ' LYS . 0.8 OUTLIER -126.58 -174.08 3.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.047 -179.776 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.461 ' O ' ' HA ' ' A' ' 37' ' ' TYR . 2.0 t80 -137.56 129.39 28.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.221 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.699 ' CG1' HD11 ' A' ' 35' ' ' LEU . 1.6 t -137.53 145.78 28.74 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.286 0 CA-C-O 120.995 0.426 . . . . 0.0 111.645 -179.67 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.702 HG23 ' HB2' ' A' ' 7' ' ' GLN . 86.9 m -138.86 110.73 7.2 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.731 177.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.786 HD12 ' OE1' ' A' ' 122' ' ' GLN . 0.2 OUTLIER -89.31 115.78 27.04 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 178.249 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.0 p -100.58 157.44 16.66 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.691 -178.362 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.3 p -77.48 -1.3 29.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.87 179.092 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -88.76 26.24 1.57 Allowed 'General case' 0 CA--C 1.521 -0.156 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.219 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.425 ' C ' ' HB2' ' A' ' 55' ' ' LEU . . . 57.09 40.32 91.24 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.398 -0.906 . . . . 0.0 111.206 -179.296 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.485 ' N ' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -138.28 144.78 40.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.206 0.527 . . . . 0.0 111.7 -179.334 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.761 HD23 HG21 ' A' ' 94' ' ' ILE . 2.5 tp -129.25 116.97 19.95 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.703 179.025 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.646 HD12 ' O ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -120.07 136.69 54.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.858 0.361 . . . . 0.0 111.399 -179.256 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.588 ' HB3' HG13 ' A' ' 27' ' ' VAL . 0.5 OUTLIER -139.61 136.25 34.16 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.675 179.137 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.501 ' HB3' ' CB ' ' A' ' 43' ' ' ASP . 0.3 OUTLIER -116.49 160.21 37.09 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.925 -179.47 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -48.18 -45.77 24.72 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.725 2.283 . . . . 0.0 112.619 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.2 t -157.11 -170.88 3.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.929 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.705 HG22 HD12 ' A' ' 45' ' ' ILE . 3.8 mp -64.84 -43.33 96.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.843 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -51.8 -27.08 11.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.388 0.613 . . . . 0.0 110.053 179.091 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.764 ' HA ' HG23 ' A' ' 48' ' ' THR . 3.8 m-20 -76.75 -39.9 50.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.806 179.571 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -72.14 -51.12 22.82 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.238 0.542 . . . . 0.0 110.091 179.442 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.705 HD12 HG22 ' A' ' 41' ' ' ILE . 18.9 mt -56.52 -61.29 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.911 179.607 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.6 m80 -73.42 -25.0 60.33 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.859 -1.064 . . . . 0.0 111.677 -179.036 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 73.88 71.1 0.11 Allowed 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 178.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.764 HG23 ' HA ' ' A' ' 43' ' ' ASP . 30.2 p -84.86 -152.5 0.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 178.57 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -39.21 -56.17 1.54 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.932 0.396 . . . . 0.0 111.185 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.441 ' HA2' ' CD2' ' A' ' 38' ' ' HIS . . . 59.3 98.89 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.909 -0.663 . . . . 0.0 112.804 179.447 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.19 156.77 35.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.695 0.283 . . . . 0.0 110.764 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.433 ' HA ' ' O ' ' A' ' 35' ' ' LEU . 16.4 pt-20 -158.8 154.62 26.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.755 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.651 ' HE3' ' CE2' ' A' ' 102' ' ' TRP . 7.0 ptp -144.82 151.1 38.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.363 -179.366 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -83.88 120.65 26.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.651 178.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.748 HD13 ' CB ' ' A' ' 122' ' ' GLN . 2.1 mt -84.99 40.21 0.8 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.646 -179.134 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.68 -61.65 1.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.835 0.35 . . . . 0.0 110.846 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.43 39.43 3.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.803 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.563 HG22 ' O ' ' A' ' 95' ' ' VAL . 0.2 OUTLIER -80.51 161.97 24.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.991 -179.899 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -133.28 159.28 40.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.573 179.628 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.3 m -121.06 123.73 70.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.842 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.505 ' HB3' HD13 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -105.02 138.59 40.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.097 -179.751 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.0 m -115.95 106.94 48.88 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.192 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -60.7 78.55 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.459 2.106 . . . . 0.0 112.116 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 103.95 95.32 2.35 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.481 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -49.78 173.18 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.826 0.346 . . . . 0.0 111.102 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.403 ' CB ' ' HD2' ' A' ' 67' ' ' PRO . 0.0 OUTLIER 60.71 166.33 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.639 -179.882 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.403 ' HD2' ' CB ' ' A' ' 66' ' ' ARG . 17.8 Cg_endo -58.27 148.72 77.47 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.451 2.101 . . . . 0.0 112.028 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.45 ' HG3' ' CE1' ' A' ' 90' ' ' PHE . 39.3 Cg_endo -66.59 94.93 0.33 Allowed 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.466 2.111 . . . . 0.0 112.209 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -127.13 -176.12 3.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.771 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.588 ' CB ' ' HB3' ' A' ' 85' ' ' ALA . . . -54.96 -56.24 21.89 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.314 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 59.0 mt -148.57 -80.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.096 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.94 87.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.774 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.85 17.54 10.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.003 0.43 . . . . 0.0 111.717 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 57.02 84.61 0.09 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.967 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 60.43 179.71 2.36 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.39 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -62.45 75.89 0.1 Allowed 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.728 2.285 . . . . 0.0 112.266 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.0 m -150.74 85.34 1.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.723 ' HB1' ' O ' ' A' ' 81' ' ' SER . . . -66.76 -52.16 47.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.4 m 57.92 80.95 0.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.009 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 123.55 -82.88 0.35 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.433 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.723 ' O ' ' HB1' ' A' ' 78' ' ' ALA . 94.7 p -117.12 -173.47 2.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.825 0.345 . . . . 0.0 110.924 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -103.7 178.94 4.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.996 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -87.84 122.65 6.34 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.517 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -83.79 -30.87 26.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.77 0.319 . . . . 0.0 110.93 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.588 ' HB3' ' CB ' ' A' ' 70' ' ' ALA . . . -90.38 143.93 26.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.104 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -167.53 39.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.729 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -62.45 -37.69 86.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.045 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.406 ' OE1' ' CE2' ' A' ' 109' ' ' PHE . 1.1 mt-10 53.66 56.29 7.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.011 0.434 . . . . 0.0 110.826 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -87.95 104.01 16.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.859 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.519 ' CD1' ' CD1' ' A' ' 109' ' ' PHE . 3.4 m-85 -91.99 108.81 20.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.79 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -138.94 137.1 36.13 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 -179.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.643 ' CE2' HD11 ' A' ' 94' ' ' ILE . 4.9 p90 -129.5 145.49 51.44 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.992 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.505 HD13 ' HB3' ' A' ' 61' ' ' LYS . 0.7 OUTLIER -105.27 150.83 24.81 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.186 -179.626 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.761 HG21 HD23 ' A' ' 35' ' ' LEU . 7.3 mm -124.33 108.75 21.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.572 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.609 HG22 HG23 ' A' ' 101' ' ' THR . 66.6 t -99.01 122.92 51.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.018 0.437 . . . . 0.0 111.492 -179.7 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.536 ' HA ' HG22 ' A' ' 58' ' ' THR . 13.4 p -88.54 -176.31 5.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.345 179.382 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 27.1 t -85.26 -2.0 57.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.303 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.4 t -112.48 21.07 16.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.91 0.386 . . . . 0.0 111.015 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 80.2 -17.7 9.43 Favored Glycine 0 CA--C 1.52 0.373 0 C-N-CA 120.82 -0.705 . . . . 0.0 113.577 179.37 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -61.54 119.72 9.15 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 117.289 0.544 . . . . 0.0 110.481 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.609 HG23 HG22 ' A' ' 95' ' ' VAL . 4.7 m -114.54 115.43 27.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.671 -179.411 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.651 ' CE2' ' HE3' ' A' ' 53' ' ' MET . 38.8 m0 -93.67 105.5 17.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.38 179.102 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.511 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.7 OUTLIER -95.78 116.12 28.43 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.366 -0.534 . . . . 0.0 110.174 179.091 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.788 ' HB3' HD23 ' A' ' 10' ' ' LEU . 18.4 m-85 -122.18 164.7 17.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.33 0.586 . . . . 0.0 111.783 -179.598 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.447 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 45.1 tt0 -129.56 103.18 6.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.601 178.848 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.607 ' HB3' ' HB2' ' A' ' 112' ' ' ARG . . . -49.64 126.35 13.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.797 -179.061 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.69 -28.3 68.51 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.498 179.509 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.99 143.45 51.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.437 179.567 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.519 ' CD1' ' CD1' ' A' ' 90' ' ' PHE . 23.0 m-85 -57.76 -45.65 85.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.148 -179.567 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -61.88 -40.68 96.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.966 0.412 . . . . 0.0 110.533 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.58 -34.37 78.09 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.033 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.607 ' HB2' ' HB3' ' A' ' 106' ' ' ALA . 0.3 OUTLIER -56.78 -49.45 75.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.877 -179.817 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -65.35 -43.0 92.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.375 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.46 -52.56 64.23 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.751 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 50.6 m95 -56.56 -55.83 28.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.664 178.64 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.603 HG23 ' O ' ' A' ' 112' ' ' ARG . 96.5 t -53.2 -36.58 25.83 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-O 120.914 0.387 . . . . 0.0 110.228 179.371 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -75.86 -30.14 58.8 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.773 178.659 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.461 ' HB2' HG22 ' A' ' 5' ' ' ILE . . . -69.87 -36.62 75.63 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.335 179.32 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.766 HD12 HD21 ' A' ' 29' ' ' LEU . 2.0 mm -68.54 -52.35 37.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.234 179.403 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.908 ' HA ' HD12 ' A' ' 123' ' ' ILE . 5.3 mm-40 -65.28 -32.88 74.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.975 0.417 . . . . 0.0 110.221 179.243 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 29.8 t -65.12 -40.48 94.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.366 179.462 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.786 ' OE1' HD12 ' A' ' 29' ' ' LEU . 1.0 OUTLIER -68.98 -32.71 72.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.397 179.452 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.908 HD12 ' HA ' ' A' ' 120' ' ' GLU . 10.6 mt -72.8 -35.82 50.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.966 179.723 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.415 HD13 ' O ' ' A' ' 120' ' ' GLU . 5.2 mp -68.64 -38.48 80.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.533 179.645 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.36 -27.0 56.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.052 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 39.4 m -84.73 -33.24 23.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.03 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.456 HD23 HG22 ' A' ' 123' ' ' ILE . 0.4 OUTLIER -58.92 -36.58 74.97 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.827 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.352 -0.832 . . . . 0.0 110.949 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.448 0 CA-C-O 120.794 0.33 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.09 136.73 35.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.098 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.403 ' CG2' ' HD2' ' A' ' 4' ' ' PRO . 12.8 mm -122.92 136.13 26.53 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.546 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.403 ' HD2' ' CG2' ' A' ' 3' ' ' ILE . 26.6 Cg_endo -62.85 127.55 20.8 Favored 'Trans proline' 0 N--CA 1.464 -0.214 0 C-N-CA 122.176 1.917 . . . . 0.0 112.337 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.421 HG22 ' HB2' ' A' ' 118' ' ' ALA . 28.6 mm -91.56 -19.79 6.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.553 -0.748 . . . . 0.0 111.161 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.629 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 4.4 tptt 178.92 110.53 0.03 OUTLIER 'General case' 0 C--O 1.215 -0.74 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.154 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.873 ' HB3' HG23 ' A' ' 28' ' ' THR . 12.4 pt20 -130.9 108.99 10.22 Favored 'General case' 0 C--N 1.311 -1.095 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.459 179.39 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 98.1 p -162.82 -174.99 4.17 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.365 -179.614 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.805 ' O ' HD12 ' A' ' 10' ' ' LEU . 1.0 OUTLIER -80.03 145.0 32.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.106 -179.778 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 1.072 HD22 HG21 ' A' ' 27' ' ' VAL . 8.9 mp -140.24 151.38 45.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.512 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.48 HD23 ' HB2' ' A' ' 22' ' ' TRP . 1.1 tp -88.19 134.96 33.65 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 179.114 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.414 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.1 OUTLIER -121.3 111.1 16.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.946 0.403 . . . . 0.0 111.266 -179.399 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.413 ' CB ' ' HD2' ' A' ' 20' ' ' LYS . 3.7 ptm180 -59.21 148.22 32.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.973 179.755 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 68.8 m -124.45 68.93 1.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.19 -168.53 33.64 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.761 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 61.69 90.47 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.866 0.365 . . . . 0.0 110.976 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.19 -52.45 27.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.027 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.3 mt -57.63 -40.52 79.37 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.83 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.8 m-20 -126.1 76.15 1.57 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.67 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.413 ' HD2' ' CB ' ' A' ' 13' ' ' ARG . 0.8 OUTLIER -48.87 173.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.223 -179.772 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -168.81 99.49 0.39 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.868 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.588 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 2.6 m95 -102.8 139.28 38.59 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.217 -178.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.0 mmtt -115.0 157.75 23.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.531 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.5 mmtp -63.02 122.99 17.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.853 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -124.96 -174.04 2.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.795 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.495 ' CE1' ' CG ' ' A' ' 44' ' ' TYR . 46.6 t80 -144.48 115.04 7.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.496 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 1.072 HG21 HD22 ' A' ' 10' ' ' LEU . 1.3 t -119.63 148.54 22.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.846 0.355 . . . . 0.0 111.589 -179.605 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.873 HG23 ' HB3' ' A' ' 7' ' ' GLN . 87.6 m -138.74 111.91 7.99 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.428 178.053 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.689 HD23 ' CZ3' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -89.26 117.1 27.98 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 177.774 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.5 t -105.95 164.91 11.59 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.991 0.424 . . . . 0.0 111.458 -178.663 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.5 t -78.34 1.01 23.27 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.808 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -93.51 26.05 3.19 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 120.744 0.307 . . . . 0.0 111.319 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.411 ' C ' ' HB2' ' A' ' 55' ' ' LEU . . . 55.46 42.29 83.19 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.619 -0.8 . . . . 0.0 111.803 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.426 ' CD1' ' HB2' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -138.82 128.18 24.34 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.159 0.504 . . . . 0.0 111.482 -179.753 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 1.022 HD23 HG21 ' A' ' 94' ' ' ILE . 1.0 OUTLIER -107.92 117.07 33.16 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.599 179.282 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.639 ' N ' HD12 ' A' ' 35' ' ' LEU . 0.4 OUTLIER -113.29 150.52 32.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.915 0.388 . . . . 0.0 111.698 -179.165 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.411 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -151.5 129.34 11.66 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.905 179.395 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.509 ' HB3' ' HB3' ' A' ' 43' ' ' ASP . 0.4 OUTLIER -119.69 161.59 37.03 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.574 -179.635 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -48.07 -43.62 30.18 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.658 2.239 . . . . 0.0 112.882 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -160.47 -167.31 1.86 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.936 0.398 . . . . 0.0 111.173 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.661 HG22 HD12 ' A' ' 45' ' ' ILE . 3.6 mp -66.16 -47.27 85.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.953 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -51.9 -25.64 8.51 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.26 0.552 . . . . 0.0 110.286 179.22 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.509 ' HB3' ' HB3' ' A' ' 38' ' ' HIS . 5.5 m-20 -76.79 -42.31 41.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.57 179.644 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.495 ' CG ' ' CE1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -69.13 -51.01 42.68 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.212 0.53 . . . . 0.0 110.14 179.567 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.661 HD12 HG22 ' A' ' 41' ' ' ILE . 25.4 mt -58.23 -62.19 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.266 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 10.4 m80 -73.52 -24.47 60.15 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.892 -1.049 . . . . 0.0 112.159 -178.535 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.0 t 77.29 74.17 0.07 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.976 0.417 . . . . 0.0 111.228 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.465 ' O ' ' HB3' ' A' ' 43' ' ' ASP . 68.5 p -144.76 117.97 8.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.156 179.288 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 62.8 m80 63.96 88.69 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 -178.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.479 ' HA3' ' CD2' ' A' ' 38' ' ' HIS . . . -141.85 88.97 0.18 Allowed Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.93 -179.515 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.425 ' HB3' ' CZ2' ' A' ' 102' ' ' TRP . 0.0 OUTLIER -68.4 143.13 55.2 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.811 0.338 . . . . 0.0 110.994 -179.559 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.512 ' HB3' HD23 ' A' ' 36' ' ' LEU . 8.7 pt-20 -138.05 150.59 47.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.676 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.707 ' HE3' ' CE2' ' A' ' 102' ' ' TRP . 10.0 ptp -135.76 151.39 50.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.206 -179.697 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -76.91 129.46 36.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.989 179.012 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.753 HD13 ' CB ' ' A' ' 122' ' ' GLN . 9.1 mt -91.39 25.59 2.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.566 -179.3 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 tt -82.95 -48.39 10.73 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.962 0.411 . . . . 0.0 110.651 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 -123.77 55.59 1.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.428 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.731 HG22 ' O ' ' A' ' 95' ' ' VAL . 0.3 OUTLIER -102.31 161.97 13.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.918 -179.681 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -134.33 168.61 18.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.637 179.72 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 20.8 t -123.21 119.57 57.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.649 ' HB3' HD13 ' A' ' 93' ' ' LEU . 0.2 OUTLIER -109.51 148.38 31.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.929 -179.865 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 19.3 t -138.8 135.65 17.93 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.112 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.69 62.64 2.3 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.492 2.128 . . . . 0.0 112.069 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 128.84 102.57 1.07 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.369 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.2 mmtm -52.07 173.25 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.81 0.338 . . . . 0.0 111.064 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 65.59 154.79 0.13 Allowed Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.75 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -53.75 126.94 23.53 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.593 2.195 . . . . 0.0 112.177 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -52.16 111.95 0.74 Allowed 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.373 2.049 . . . . 0.0 112.321 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -65.1 126.74 29.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -86.35 -30.13 22.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.108 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 26.7 mt -81.78 -33.47 12.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.266 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -161.64 108.6 1.39 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.971 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.76 17.63 10.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.79 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -130.2 160.91 32.41 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.881 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.66 -129.62 0.02 OUTLIER Glycine 0 CA--C 1.52 0.344 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.435 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -67.62 -176.65 0.97 Allowed 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.439 2.093 . . . . 0.0 112.226 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.3 t 60.4 89.99 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.73 -29.65 66.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.103 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.38 54.94 3.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.937 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -120.47 124.03 5.77 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.526 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -133.42 136.28 45.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.795 0.331 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -136.03 87.7 2.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.142 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 117.04 -109.89 1.98 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.475 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -117.24 -68.23 0.93 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.883 0.373 . . . . 0.0 110.929 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -176.37 103.46 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.06 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -98.83 31.81 2.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.871 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -65.62 -30.78 71.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -148.56 61.26 1.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -112.94 103.91 11.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.85 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.445 ' CD2' ' HG2' ' A' ' 112' ' ' ARG . 16.5 m-85 -89.79 118.61 29.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.02 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -140.4 136.13 32.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 -179.663 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.728 ' CE2' HD11 ' A' ' 94' ' ' ILE . 4.1 p90 -132.96 146.74 52.05 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.741 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.649 HD13 ' HB3' ' A' ' 61' ' ' LYS . 0.8 OUTLIER -107.52 148.88 28.65 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.645 -179.246 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 1.022 HG21 HD23 ' A' ' 35' ' ' LEU . 10.0 mm -123.07 110.27 25.93 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.785 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.738 HG22 HG23 ' A' ' 101' ' ' THR . 56.6 t -99.63 134.51 38.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.006 0.431 . . . . 0.0 111.613 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.453 ' HB2' ' HE2' ' A' ' 53' ' ' MET . 48.1 t -95.72 -174.09 3.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.528 179.421 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.61 -18.52 44.45 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.315 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.0 t -99.37 24.57 7.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.895 0.378 . . . . 0.0 111.215 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 79.5 -11.35 32.43 Favored Glycine 0 CA--C 1.521 0.438 0 C-N-CA 120.834 -0.698 . . . . 0.0 113.361 179.519 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -57.22 133.92 55.48 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 117.085 0.442 . . . . 0.0 110.675 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.738 HG23 HG22 ' A' ' 95' ' ' VAL . 2.7 m -132.84 114.55 14.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.983 0.421 . . . . 0.0 111.712 -179.559 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.707 ' CE2' ' HE3' ' A' ' 53' ' ' MET . 41.4 m0 -98.48 105.7 17.88 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.875 179.081 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.588 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.8 OUTLIER -91.02 115.95 28.41 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.293 -0.563 . . . . 0.0 110.004 178.838 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.862 ' HB3' HD23 ' A' ' 10' ' ' LEU . 26.1 m-85 -119.33 161.56 20.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.258 0.551 . . . . 0.0 111.96 -179.338 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.48 ' HB2' ' CE3' ' A' ' 22' ' ' TRP . 0.3 OUTLIER -126.57 102.49 7.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.188 -0.914 . . . . 0.0 109.725 178.794 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.6 ' HB3' ' HB3' ' A' ' 112' ' ' ARG . . . -56.73 127.49 31.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.593 -179.299 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.76 -32.86 74.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.587 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.1 m -114.46 147.31 39.51 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.509 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.4 ' O ' ' HG3' ' A' ' 112' ' ' ARG . 10.3 m-30 -66.0 -34.81 78.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.195 -179.725 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.83 -33.45 64.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.985 0.422 . . . . 0.0 110.898 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.19 -38.92 82.5 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.54 -179.512 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.605 ' O ' HG23 ' A' ' 116' ' ' VAL . 0.0 OUTLIER -56.77 -36.83 70.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.697 0.284 . . . . 0.0 110.834 -179.549 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -74.39 -47.01 36.62 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.496 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.467 ' HB1' ' HD3' ' A' ' 6' ' ' LYS . . . -55.04 -48.68 73.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.228 179.459 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.689 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 56.8 m95 -59.06 -54.97 41.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.835 179.078 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 112' ' ' ARG . 75.3 t -55.64 -34.5 35.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.916 0.388 . . . . 0.0 110.199 179.656 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.417 ' HA ' ' CG ' ' A' ' 120' ' ' GLU . 0.1 OUTLIER -80.75 -27.03 36.94 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.486 179.073 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 114' ' ' ALA . . . -72.14 -43.95 63.88 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 121.1 0.476 . . . . 0.0 110.245 179.347 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.671 HG13 HD21 ' A' ' 29' ' ' LEU . 2.5 mp -66.66 -49.62 73.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.121 179.336 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.797 ' HA ' HD12 ' A' ' 123' ' ' ILE . 0.0 OUTLIER -64.81 -32.54 74.28 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 110.113 -0.328 . . . . 0.0 110.113 179.213 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 117' ' ' GLN . 11.5 t -66.44 -45.96 78.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.65 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.753 ' CB ' HD13 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -63.51 -31.77 73.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.496 179.713 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.797 HD12 ' HA ' ' A' ' 120' ' ' GLU . 20.0 mt -70.51 -38.96 75.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 179.583 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.64 -35.04 76.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.817 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.26 -32.39 58.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.029 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -77.91 -31.09 50.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 4.1 mt -65.69 -46.57 78.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.853 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.895 0.379 . . . . 0.0 111.224 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.44 172.82 11.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.063 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.412 ' O ' ' HB2' ' A' ' 31' ' ' SER . 18.6 mm -113.9 132.02 22.85 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.887 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 31.2 Cg_exo -58.72 125.89 19.62 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.201 1.934 . . . . 0.0 112.246 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.488 ' N ' ' O ' ' A' ' 29' ' ' LEU . 29.0 mm -94.79 -18.73 6.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.506 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.593 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 3.4 tptt 176.77 110.44 0.02 OUTLIER 'General case' 0 C--O 1.22 -0.451 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 179.016 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.763 ' HB2' HG23 ' A' ' 28' ' ' THR . 0.1 OUTLIER -131.89 117.46 18.52 Favored 'General case' 0 C--N 1.314 -0.938 0 C-N-CA 120.952 -0.299 . . . . 0.0 110.467 179.512 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.63 -175.06 0.74 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.12 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.604 ' CD1' HD11 ' A' ' 41' ' ' ILE . 0.8 OUTLIER -79.42 132.41 36.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.871 -179.887 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.875 HD23 ' HB3' ' A' ' 104' ' ' PHE . 4.5 mp -126.74 148.72 49.86 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.688 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.448 ' CB ' ' HB3' ' A' ' 105' ' ' GLU . 1.3 tp -87.47 129.89 34.9 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.264 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.404 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.2 OUTLIER -112.36 112.51 24.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.876 0.369 . . . . 0.0 111.183 -179.688 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -55.88 147.94 18.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.13 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.0 p -126.3 -44.54 1.72 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -89.33 -157.12 32.62 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.5 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -109.46 -176.09 2.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.777 0.323 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.4 m -59.56 -43.28 93.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.1 tp -64.06 -32.46 74.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -145.54 74.04 1.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.806 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -73.02 163.53 28.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.158 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -173.47 101.63 0.12 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.94 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.608 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 2.7 m95 -100.35 148.64 24.47 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.273 -179.275 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.8 154.11 33.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.728 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.14 116.14 5.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.687 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.424 ' CE ' ' HA ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -117.82 -174.25 2.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.081 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.421 ' CE1' ' HB2' ' A' ' 44' ' ' TYR . 54.7 t80 -143.47 115.18 8.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.349 -179.615 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.698 HG23 ' HB2' ' A' ' 10' ' ' LEU . 2.3 t -122.98 152.78 27.79 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.324 0 CA-C-O 121.174 0.512 . . . . 0.0 111.919 -179.314 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.763 HG23 ' HB2' ' A' ' 7' ' ' GLN . 89.1 m -138.57 124.7 20.2 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.24 177.124 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.765 HD23 ' CZ3' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -105.47 114.23 28.28 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 178.319 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.1 t -106.11 159.46 16.06 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.055 0.455 . . . . 0.0 111.177 -178.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.412 ' HB2' ' O ' ' A' ' 3' ' ' ILE . 1.3 t -74.73 2.63 9.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.21 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -90.02 26.13 1.94 Allowed 'General case' 0 CA--C 1.523 -0.086 0 CA-C-O 120.748 0.308 . . . . 0.0 111.339 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 52.76 40.37 56.46 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.556 -0.83 . . . . 0.0 111.814 -179.667 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.419 ' CE1' ' HB2' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -137.94 132.4 32.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.001 0.429 . . . . 0.0 111.589 -179.588 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.967 HD23 HG21 ' A' ' 94' ' ' ILE . 1.4 tp -116.04 117.07 29.09 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.801 179.151 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.625 ' N ' HD12 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -119.05 150.73 39.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.828 0.347 . . . . 0.0 111.186 -179.478 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.516 ' HB2' HG22 ' A' ' 27' ' ' VAL . 0.4 OUTLIER -154.1 137.04 15.42 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.293 0.568 . . . . 0.0 111.31 179.598 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.491 ' HB3' ' HB3' ' A' ' 43' ' ' ASP . 0.5 OUTLIER -120.07 161.93 36.06 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.429 -179.861 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.424 ' HA ' ' CE ' ' A' ' 25' ' ' LYS . 78.7 Cg_exo -48.26 -34.67 25.22 Favored 'Trans proline' 0 CA--C 1.529 0.273 0 C-N-CA 122.659 2.24 . . . . 0.0 112.788 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.61 -167.72 0.46 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.885 0.374 . . . . 0.0 111.307 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.732 HG22 HD12 ' A' ' 45' ' ' ILE . 4.0 mp -65.3 -47.07 88.62 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.8 p-10 -51.59 -27.15 10.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.376 0.607 . . . . 0.0 109.976 179.19 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.498 ' HB3' ' O ' ' A' ' 48' ' ' THR . 5.4 m-20 -76.81 -42.77 39.22 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.734 179.535 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.421 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 0.4 OUTLIER -67.89 -51.08 52.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.237 0.541 . . . . 0.0 110.025 179.642 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.732 HD12 HG22 ' A' ' 41' ' ' ILE . 30.5 mt -59.13 -62.76 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.33 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 10.8 m80 -73.35 -24.39 60.34 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.904 -1.044 . . . . 0.0 112.369 -178.402 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.5 m 77.96 74.62 0.06 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.029 0.443 . . . . 0.0 111.383 179.536 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.498 ' O ' ' HB3' ' A' ' 43' ' ' ASP . 72.0 p -144.11 116.78 8.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.125 179.224 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 64.17 88.13 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.778 -0.452 . . . . 0.0 109.778 -178.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.463 ' HA3' ' CD2' ' A' ' 38' ' ' HIS . . . -137.28 86.82 0.23 Allowed Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.759 -179.624 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.454 ' HB3' ' CZ2' ' A' ' 102' ' ' TRP . 0.0 OUTLIER -68.38 153.62 43.4 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.85 0.357 . . . . 0.0 111.126 -179.429 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.429 ' HA ' ' O ' ' A' ' 35' ' ' LEU . 2.4 pt-20 -153.37 133.33 13.24 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.375 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.743 ' HE3' ' CE2' ' A' ' 102' ' ' TRP . 12.2 ptp -119.99 150.14 41.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.368 -179.608 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.6 p-10 -78.34 124.71 28.41 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 178.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.652 HD21 HG23 ' A' ' 119' ' ' ILE . 0.5 OUTLIER -86.81 32.26 0.67 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -179.12 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.25 -48.06 10.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.92 0.39 . . . . 0.0 110.487 179.532 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -129.25 58.19 1.62 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.327 179.673 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.63 HG22 ' O ' ' A' ' 95' ' ' VAL . 0.2 OUTLIER -104.15 161.94 13.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.092 -179.606 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.02 163.98 23.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.388 179.562 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' A' ' 93' ' ' LEU . 14.6 m -139.05 130.88 36.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.946 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.46 163.87 39.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.973 0.416 . . . . 0.0 111.487 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.776 HG12 ' O ' ' A' ' 91' ' ' GLU . 3.7 m -106.89 156.87 36.53 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.025 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -67.4 65.97 0.73 Allowed 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.567 2.178 . . . . 0.0 112.401 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 56.44 56.82 22.49 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.615 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.5 155.9 48.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.84 0.352 . . . . 0.0 110.963 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.3 ptp180 -73.87 155.42 88.74 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.815 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_endo -57.9 126.49 21.84 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.538 2.158 . . . . 0.0 112.132 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -73.35 127.7 12.13 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.432 2.088 . . . . 0.0 112.311 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.07 113.71 26.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.34 -32.41 22.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.103 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.0 mt -88.39 -63.38 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.149 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.2 p -165.52 173.7 10.68 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.8 17.61 10.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.606 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 2.4 t80 62.61 32.46 16.36 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.3 86.65 0.6 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.536 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.92 114.27 3.83 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.529 2.153 . . . . 0.0 112.305 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.0 t -153.18 38.6 0.5 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.963 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.21 -33.21 29.44 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.095 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 59.84 103.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.958 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -139.3 -152.21 5.85 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.462 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 27.8 t -129.21 75.29 1.64 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.768 0.318 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -176.11 60.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.056 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 60.69 -96.38 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.43 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.405 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 2.3 tt0 -167.56 -74.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.823 0.344 . . . . 0.0 110.893 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.405 ' HB2' ' O ' ' A' ' 84' ' ' GLN . . . 177.63 119.47 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.03 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -165.36 31.89 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.111 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -68.45 -51.09 47.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.96 0.409 . . . . 0.0 110.668 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 50.4 52.82 14.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.462 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -103.19 103.86 13.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.537 179.513 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.448 ' CD2' ' HD3' ' A' ' 112' ' ' ARG . 2.8 m-85 -103.9 103.69 13.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.024 -179.388 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.776 ' O ' HG12 ' A' ' 62' ' ' VAL . 4.2 mp0 -151.33 136.43 17.46 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.531 179.761 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.634 ' CE1' HD11 ' A' ' 94' ' ' ILE . 9.5 p90 -131.85 148.17 52.53 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.936 0.398 . . . . 0.0 111.295 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.414 ' O ' ' HA ' ' A' ' 60' ' ' VAL . 1.3 mt -111.04 137.92 48.09 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.695 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.967 HG21 HD23 ' A' ' 35' ' ' LEU . 12.7 mm -113.76 108.93 26.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.116 -179.669 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.654 HG22 HG23 ' A' ' 101' ' ' THR . 84.5 t -99.84 123.73 52.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.876 0.369 . . . . 0.0 111.384 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.531 ' HA ' HG22 ' A' ' 58' ' ' THR . 8.6 t -91.84 171.61 9.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.719 179.63 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 11.0 t -68.85 -13.64 62.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.368 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.9 p -101.63 24.12 10.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.04 0.448 . . . . 0.0 111.191 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 69.45 6.15 53.09 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.924 -0.655 . . . . 0.0 113.103 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.3 115.47 16.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.995 0.397 . . . . 0.0 110.252 179.577 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.654 HG23 HG22 ' A' ' 95' ' ' VAL . 2.7 m -109.83 114.77 28.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.053 0.454 . . . . 0.0 111.637 -179.372 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.743 ' CE2' ' HE3' ' A' ' 53' ' ' MET . 32.3 m0 -100.28 105.58 17.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.444 179.036 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.608 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.8 OUTLIER -91.78 116.43 28.89 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.173 179.105 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.875 ' HB3' HD23 ' A' ' 10' ' ' LEU . 22.9 m-85 -121.28 162.71 19.77 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.533 0.682 . . . . 0.0 112.384 -179.168 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.475 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 1.0 OUTLIER -131.27 100.34 5.15 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 114.828 -1.078 . . . . 0.0 109.607 179.098 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.696 ' HB3' ' HB2' ' A' ' 112' ' ' ARG . . . -51.57 123.1 9.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.685 -179.371 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.64 -31.89 69.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.666 179.564 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -114.57 140.62 48.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.48 179.545 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.437 ' HA ' ' CD2' ' A' ' 90' ' ' PHE . 4.1 m-85 -57.72 -39.73 77.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.19 -179.748 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -72.73 -32.77 65.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.773 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -66.71 -36.84 83.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.091 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.696 ' HB2' ' HB3' ' A' ' 106' ' ' ALA . 0.0 OUTLIER -56.46 -49.45 74.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.867 -179.713 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -64.72 -43.84 92.14 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.4 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.448 ' HB1' ' HD3' ' A' ' 6' ' ' LYS . . . -55.9 -51.47 67.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.136 179.213 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.765 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 54.4 m95 -56.6 -55.74 30.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.665 178.741 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 112' ' ' ARG . 73.2 t -53.25 -37.17 27.58 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-O 120.891 0.377 . . . . 0.0 110.29 179.534 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.28 -29.88 57.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.986 178.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.471 ' HB2' HG22 ' A' ' 5' ' ' ILE . . . -69.11 -39.4 78.96 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.259 179.352 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.752 HD12 HD21 ' A' ' 29' ' ' LEU . 1.4 mm -67.29 -52.02 46.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.118 179.435 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.628 ' HA ' HD12 ' A' ' 123' ' ' ILE . 1.0 OUTLIER -65.23 -32.9 74.81 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.312 179.284 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 29.0 t -65.52 -40.86 93.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.681 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.716 ' OE1' HD12 ' A' ' 29' ' ' LEU . 1.6 mp0 -69.68 -32.92 71.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.46 179.664 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.628 HD12 ' HA ' ' A' ' 120' ' ' GLU . 19.0 mt -73.05 -38.43 55.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.88 179.627 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 3.3 tt -66.58 -37.24 84.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.532 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.42 -28.12 56.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.984 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.6 -34.18 25.2 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.171 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.58 -30.95 67.58 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.008 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.284 -0.865 . . . . 0.0 110.953 179.986 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.845 0.355 . . . . 0.0 111.159 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.479 ' O ' HD13 ' A' ' 3' ' ' ILE . . . -74.87 168.25 20.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.046 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.479 HD13 ' O ' ' A' ' 2' ' ' ALA . 10.6 mm -128.25 130.08 23.59 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.993 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -60.29 126.83 21.11 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.438 2.092 . . . . 0.0 112.165 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.527 HD11 ' CA ' ' A' ' 31' ' ' SER . 4.3 mp -92.81 -19.74 6.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.142 179.687 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.615 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 0.3 OUTLIER -177.2 110.35 0.08 Allowed 'General case' 0 C--O 1.216 -0.693 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.03 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.818 ' HB3' HG23 ' A' ' 28' ' ' THR . 12.4 pt20 -130.74 112.16 12.82 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-O 120.855 0.36 . . . . 0.0 110.554 179.237 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -164.54 -175.18 3.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.294 -179.573 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.54 ' CE1' HD11 ' A' ' 41' ' ' ILE . 3.0 m-85 -86.83 128.69 35.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.201 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.802 HD23 ' HB3' ' A' ' 104' ' ' PHE . 7.1 mp -120.49 155.25 33.98 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.169 179.485 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.482 HD23 ' HB2' ' A' ' 22' ' ' TRP . 1.3 tp -90.36 136.65 32.92 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.082 179.425 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.421 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.1 OUTLIER -123.08 114.35 20.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.207 -179.404 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.409 ' CB ' ' HD2' ' A' ' 20' ' ' LYS . 1.2 ptm180 -61.4 148.08 42.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.842 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.8 t -98.26 -65.45 0.96 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.001 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -169.02 -154.71 9.2 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.494 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.3 m120 61.49 113.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.834 0.349 . . . . 0.0 110.931 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.1 t -81.11 -34.64 32.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.54 -32.26 73.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.807 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -149.76 108.7 3.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.792 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.409 ' HD2' ' CB ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -59.39 176.27 0.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.05 0.452 . . . . 0.0 111.036 -179.915 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -168.7 98.91 0.4 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.863 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.516 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 2.1 m95 -102.37 143.0 32.68 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.246 -178.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.2 mtmt -117.04 161.12 19.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.438 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.13 117.43 6.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.846 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.4 tptt -118.7 178.24 4.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.826 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.51 ' CE1' ' CG ' ' A' ' 44' ' ' TYR . 52.0 t80 -135.79 127.81 29.65 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.325 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.659 HG21 HD22 ' A' ' 10' ' ' LEU . 1.4 t -136.82 144.52 32.15 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.294 0 CA-C-O 120.9 0.381 . . . . 0.0 111.83 -179.465 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.818 HG23 ' HB3' ' A' ' 7' ' ' GLN . 96.1 m -138.78 112.72 8.51 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.931 177.736 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.772 ' CD2' HD13 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -89.31 114.45 25.84 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 178.008 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 42.8 t -102.76 162.28 13.05 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 123.516 0.51 . . . . 0.0 111.251 -178.699 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.527 ' CA ' HD11 ' A' ' 5' ' ' ILE . 4.7 t -78.5 3.99 14.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.379 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -91.75 26.08 2.5 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.703 0.287 . . . . 0.0 111.317 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.429 ' C ' HD12 ' A' ' 55' ' ' LEU . . . 53.04 40.63 58.87 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.584 -0.817 . . . . 0.0 111.701 -179.723 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.62 ' N ' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -139.85 123.45 17.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.969 0.414 . . . . 0.0 111.231 -179.384 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 1.026 HD23 HG21 ' A' ' 94' ' ' ILE . 3.1 tp -99.01 117.11 32.8 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 178.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.499 HD23 ' HB3' ' A' ' 52' ' ' GLU . 0.3 OUTLIER -112.37 145.76 39.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.965 0.412 . . . . 0.0 111.6 -179.056 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.478 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -155.07 132.64 11.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.422 179.423 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.498 ' CD2' ' HA2' ' A' ' 50' ' ' GLY . 0.2 OUTLIER -120.29 160.74 42.3 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.972 -179.365 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -52.43 -27.73 32.86 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.733 2.288 . . . . 0.0 112.399 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.47 -174.78 1.24 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.815 0.341 . . . . 0.0 110.971 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.769 HG22 HD12 ' A' ' 45' ' ' ILE . 3.6 mp -63.83 -46.58 93.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -51.77 -28.24 14.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.258 0.551 . . . . 0.0 110.271 179.309 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.438 ' CB ' ' HB3' ' A' ' 38' ' ' HIS . 1.5 m-20 -76.82 -40.13 48.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.762 179.656 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.51 ' CG ' ' CE1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -70.34 -51.22 31.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.185 0.517 . . . . 0.0 110.171 179.483 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.769 HD12 HG22 ' A' ' 41' ' ' ILE . 24.4 mt -58.53 -62.12 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.107 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.6 m80 -73.5 -24.66 60.2 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.845 -1.071 . . . . 0.0 112.185 -178.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.46 ' OG ' ' O ' ' A' ' 47' ' ' SER . 4.5 p 78.24 74.96 0.06 Allowed 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 121.213 0.53 . . . . 0.0 111.397 179.528 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 41.9 p -118.43 117.33 28.74 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.909 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER 72.69 -59.15 0.57 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.755 -179.677 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.498 ' HA2' ' CD2' ' A' ' 38' ' ' HIS . . . 47.69 91.09 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.238 0 CA-C-N 115.638 -0.71 . . . . 0.0 113.056 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.444 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -83.57 132.8 34.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.629 0.252 . . . . 0.0 110.715 179.79 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.499 ' HB3' HD23 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -132.58 133.23 43.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.09 0.471 . . . . 0.0 111.063 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.568 ' CE ' ' CG ' ' A' ' 102' ' ' TRP . 0.1 OUTLIER -115.28 118.98 34.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.32 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.466 ' O ' HG23 ' A' ' 58' ' ' THR . 1.2 t70 -56.55 130.8 46.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.838 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.857 HD13 ' CB ' ' A' ' 122' ' ' GLN . 23.5 mt -98.32 33.39 2.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.245 -179.703 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.5 tp -83.14 -51.51 7.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.802 0.334 . . . . 0.0 110.822 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 31.9 mtm-85 -131.78 47.22 2.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.593 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.569 HG22 ' O ' ' A' ' 95' ' ' VAL . 0.6 OUTLIER -89.48 161.94 15.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.204 -179.641 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.7 172.11 11.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.534 179.587 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.766 HG11 HG23 ' A' ' 116' ' ' VAL . 14.3 t -126.83 122.97 61.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.016 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.674 ' HE3' HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -111.37 147.36 35.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.05 -179.736 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.3 t -128.92 122.62 21.48 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.976 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -72.98 62.61 4.01 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.418 2.079 . . . . 0.0 112.452 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 110.7 112.26 3.36 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.604 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.6 mmtt -63.09 171.72 2.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.813 0.34 . . . . 0.0 110.79 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 40.9 mtt85 59.92 161.28 0.1 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.409 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 54.4 Cg_exo -52.46 118.68 4.89 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.466 2.111 . . . . 0.0 112.323 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 67' ' ' PRO . 35.3 Cg_exo -59.95 151.4 72.05 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.412 2.075 . . . . 0.0 112.357 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -79.06 -177.05 5.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.902 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -87.06 -50.22 6.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 28.2 mm -87.67 -48.65 15.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.199 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.4 m -177.93 173.36 1.54 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.871 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.6 17.48 10.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.721 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -164.78 90.63 0.54 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.826 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -153.37 86.04 0.14 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.451 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -52.08 153.06 13.17 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.63 2.22 . . . . 0.0 112.307 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 27.4 p -160.21 126.71 4.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.819 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.12 -32.6 69.21 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.041 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.44 86.49 1.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -93.84 151.78 20.44 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.553 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.2 p -121.98 148.59 44.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.83 0.348 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -107.36 157.13 18.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.177 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 95.2 27.55 10.75 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.593 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -125.84 -43.56 1.84 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.843 0.354 . . . . 0.0 110.933 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -135.19 108.92 8.01 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.199 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -129.66 55.72 1.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.741 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -59.44 -54.38 47.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.017 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.459 ' HB3' ' CZ ' ' A' ' 109' ' ' PHE . 4.6 mt-10 53.39 26.58 5.5 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.147 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -65.95 110.74 3.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.815 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.492 ' CE2' ' CD1' ' A' ' 109' ' ' PHE . 7.5 m-85 -85.75 145.96 27.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.179 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -139.85 132.86 29.46 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.762 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.62 ' CE2' HD11 ' A' ' 94' ' ' ILE . 7.6 p90 -123.34 159.8 28.08 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.744 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.52 HD13 ' HB3' ' A' ' 61' ' ' LYS . 0.7 OUTLIER -120.4 149.18 42.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.02 0.438 . . . . 0.0 111.83 -179.224 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 1.026 HG21 HD23 ' A' ' 35' ' ' LEU . 14.1 mm -120.31 108.63 23.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.217 179.57 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.987 HG22 HG23 ' A' ' 101' ' ' THR . 59.8 t -103.59 135.63 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.981 0.42 . . . . 0.0 111.92 -179.322 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.519 ' HA ' HG22 ' A' ' 58' ' ' THR . 48.0 t -99.13 -173.98 2.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.258 179.226 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 28.7 p -88.0 -0.01 56.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.506 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.0 t -114.33 22.61 13.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.991 0.424 . . . . 0.0 110.896 179.461 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 83.59 -21.15 9.45 Favored Glycine 0 CA--C 1.519 0.317 0 C-N-CA 120.803 -0.713 . . . . 0.0 113.309 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.36 129.07 30.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 117.083 0.441 . . . . 0.0 110.864 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.987 HG23 HG22 ' A' ' 95' ' ' VAL . 2.0 m -131.88 114.84 15.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.885 0.374 . . . . 0.0 111.63 -179.646 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.633 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 35.4 m0 -95.3 105.56 17.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.223 179.025 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.516 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.7 OUTLIER -94.74 116.1 28.32 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.27 -0.572 . . . . 0.0 110.427 179.237 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.802 ' HB3' HD23 ' A' ' 10' ' ' LEU . 20.9 m-85 -121.76 166.01 14.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.212 0.529 . . . . 0.0 111.37 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.48 ' HB3' ' CB ' ' A' ' 11' ' ' LEU . 36.6 tt0 -126.76 107.11 9.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.744 178.814 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -52.5 121.56 7.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.901 -179.135 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.27 -30.61 71.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.416 179.358 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -118.48 147.8 43.25 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.349 179.524 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.492 ' CD1' ' CE2' ' A' ' 90' ' ' PHE . 17.2 m-30 -65.93 -38.35 88.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.284 -179.745 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.71 -37.4 65.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.08 0.467 . . . . 0.0 110.619 179.599 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.51 -35.69 80.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.483 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.62 -40.99 76.32 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.789 0.328 . . . . 0.0 110.937 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.611 ' O ' HG12 ' A' ' 116' ' ' VAL . 26.2 t0 -74.68 -35.57 62.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.616 179.653 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.477 ' HB1' ' HD3' ' A' ' 6' ' ' LYS . . . -64.45 -46.75 81.77 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 179.288 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.743 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 60.4 m95 -60.64 -53.0 62.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.73 178.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.766 HG23 HG11 ' A' ' 60' ' ' VAL . 2.4 p -53.82 -37.63 33.41 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-O 121.053 0.454 . . . . 0.0 110.223 179.409 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.49 ' HA ' ' HG2' ' A' ' 120' ' ' GLU . 4.3 mm-40 -77.09 -32.07 56.42 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.269 179.14 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.523 ' HB2' HG22 ' A' ' 5' ' ' ILE . . . -65.97 -47.3 75.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.819 179.681 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.627 HG13 HD21 ' A' ' 29' ' ' LEU . 2.7 mp -64.38 -48.49 85.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.608 179.685 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.801 ' HA ' HD12 ' A' ' 123' ' ' ILE . 11.1 pt-20 -68.08 -32.78 73.34 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.317 179.387 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 117' ' ' GLN . 7.6 m -66.0 -38.7 89.14 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.998 0.428 . . . . 0.0 110.21 179.386 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.857 ' CB ' HD13 ' A' ' 55' ' ' LEU . 0.9 OUTLIER -69.05 -34.57 75.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.321 179.514 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.801 HD12 ' HA ' ' A' ' 120' ' ' GLU . 20.0 mt -69.38 -36.97 74.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.003 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 2.1 tp -68.6 -41.36 79.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.728 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -74.23 -28.07 61.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.123 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 89.2 p -79.86 -29.9 40.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.93 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.21 -38.7 68.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.795 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.731 0.301 . . . . 0.0 111.267 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.69 177.16 4.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.026 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.404 ' CG2' ' HD2' ' A' ' 4' ' ' PRO . 15.8 mt -125.23 136.22 27.9 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.404 ' HD2' ' CG2' ' A' ' 3' ' ' ILE . 43.6 Cg_endo -68.46 133.75 28.95 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.508 2.139 . . . . 0.0 112.505 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.475 HG22 ' HB2' ' A' ' 118' ' ' ALA . 44.5 mm -95.0 -21.11 5.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.582 179.404 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.6 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 0.4 OUTLIER -179.95 110.24 0.04 OUTLIER 'General case' 0 C--O 1.217 -0.62 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 178.869 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.779 ' HB2' HG23 ' A' ' 28' ' ' THR . 0.1 OUTLIER -128.43 109.84 11.77 Favored 'General case' 0 C--N 1.312 -1.049 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.246 179.63 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.15 -175.05 4.38 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.25 -179.733 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.459 ' CE1' HD11 ' A' ' 41' ' ' ILE . 3.7 m-85 -88.93 125.71 35.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.955 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.77 HD23 ' HB3' ' A' ' 104' ' ' PHE . 7.6 mp -115.6 162.97 16.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.449 179.666 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.494 HD23 ' HB2' ' A' ' 22' ' ' TRP . 1.1 mp -98.66 141.8 31.02 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.227 179.296 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.446 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.0 OUTLIER -129.37 107.53 9.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.821 0.343 . . . . 0.0 111.097 -179.669 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.422 ' HB3' ' CE2' ' A' ' 22' ' ' TRP . 3.7 ptt180 -56.62 147.96 21.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.106 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -147.73 81.28 1.5 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 166.14 -151.26 19.52 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.439 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 54.9 m-20 -83.5 178.86 7.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.876 0.37 . . . . 0.0 110.914 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.7 m -78.64 -37.41 42.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.824 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.4 -34.12 65.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.839 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.1 t-20 -118.54 78.6 1.28 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.407 ' HD3' ' CZ2' ' A' ' 22' ' ' TRP . 5.2 mttt -73.57 158.96 33.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.045 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -164.32 98.48 0.82 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.821 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.494 ' CD1' ' N ' ' A' ' 22' ' ' TRP . 3.3 m95 -93.65 131.5 38.89 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.35 -178.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.97 155.49 18.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.392 179.612 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.1 mmtp -63.09 121.3 13.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.982 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.427 ' CD ' ' HA ' ' A' ' 39' ' ' PRO . 17.7 mmtm -122.95 174.39 7.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.77 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.469 ' CD1' ' HB2' ' A' ' 44' ' ' TYR . 54.5 t80 -130.3 114.93 16.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.386 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.65 HG21 HD22 ' A' ' 10' ' ' LEU . 1.7 t -121.82 146.35 27.06 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.259 0 CA-C-O 121.047 0.451 . . . . 0.0 111.97 -179.442 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.779 HG23 ' HB2' ' A' ' 7' ' ' GLN . 86.9 m -138.75 111.45 7.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.641 177.824 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.799 HD12 ' OE1' ' A' ' 122' ' ' GLN . 0.2 OUTLIER -89.31 116.39 27.5 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 178.553 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.6 p -100.19 158.95 15.49 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.928 0.394 . . . . 0.0 111.542 -178.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.7 p -77.55 -0.03 24.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.089 179.459 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -90.41 26.16 2.04 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-O 120.832 0.348 . . . . 0.0 111.286 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 55.59 42.26 83.94 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.484 -0.865 . . . . 0.0 111.262 -179.419 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.426 ' CE2' ' HB2' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -137.35 129.77 29.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.935 0.397 . . . . 0.0 111.443 -179.078 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 1.066 HD23 HG21 ' A' ' 94' ' ' ILE . 2.8 tp -109.48 116.94 32.73 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.659 179.079 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.453 ' N ' HD12 ' A' ' 35' ' ' LEU . 0.5 OUTLIER -113.99 144.93 42.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.98 0.419 . . . . 0.0 111.566 -179.215 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.434 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -154.32 134.69 13.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.507 179.442 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.497 ' CD2' ' HA2' ' A' ' 50' ' ' GLY . 0.1 OUTLIER -123.01 159.26 54.75 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.894 -179.276 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.427 ' HA ' ' CD ' ' A' ' 25' ' ' LYS . 75.8 Cg_exo -50.23 -30.41 25.85 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.776 2.317 . . . . 0.0 112.548 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -172.47 -175.18 1.31 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.063 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.897 HG22 HD12 ' A' ' 45' ' ' ILE . 3.4 mp -62.29 -44.49 99.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.019 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -51.82 -29.39 19.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.262 0.553 . . . . 0.0 109.996 179.372 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.437 ' O ' ' HA ' ' A' ' 47' ' ' SER . 1.8 m-20 -76.98 -37.24 55.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.828 179.429 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.469 ' HB2' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -71.58 -51.37 23.72 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.283 0.563 . . . . 0.0 110.288 179.466 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.897 HD12 HG22 ' A' ' 41' ' ' ILE . 15.1 mt -60.29 -61.73 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.097 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.1 m80 -73.52 -24.6 60.17 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.786 -1.097 . . . . 0.0 112.221 -178.637 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.437 ' HA ' ' O ' ' A' ' 43' ' ' ASP . 4.2 t 76.1 73.16 0.08 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.885 0.374 . . . . 0.0 111.297 179.528 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 49.3 p -118.39 116.56 26.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.92 179.622 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 76.39 -60.04 0.49 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.516 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.497 ' HA2' ' CD2' ' A' ' 38' ' ' HIS . . . 45.66 90.32 0.01 OUTLIER Glycine 0 N--CA 1.453 -0.181 0 CA-C-N 115.578 -0.737 . . . . 0.0 113.062 179.744 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.9 133.21 35.3 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.724 0.297 . . . . 0.0 110.785 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.426 ' HB2' ' CE2' ' A' ' 34' ' ' PHE . 5.7 pt-20 -132.93 133.28 43.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.108 0.48 . . . . 0.0 110.916 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.548 ' CE ' ' CG ' ' A' ' 102' ' ' TRP . 0.5 OUTLIER -117.42 119.85 36.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.466 -179.742 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.447 ' O ' HG23 ' A' ' 58' ' ' THR . 2.6 m-20 -62.15 127.82 33.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.542 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.554 HD22 ' HB2' ' A' ' 122' ' ' GLN . 0.4 OUTLIER -97.28 40.33 1.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.437 -179.544 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.36 -46.24 12.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.817 0.341 . . . . 0.0 110.948 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.405 ' NH1' ' HB3' ' A' ' 57' ' ' ARG . 4.1 mmm180 -139.72 36.14 2.0 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.728 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.7 HG22 ' HA ' ' A' ' 96' ' ' SER . 0.9 OUTLIER -77.03 157.15 31.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.142 -179.775 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.02 150.5 42.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.401 179.443 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.466 HG11 HG13 ' A' ' 116' ' ' VAL . 21.2 t -104.8 114.35 44.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.167 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.444 ' HB3' HD13 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -101.87 142.33 33.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.806 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.436 ' HA ' ' HD3' ' A' ' 63' ' ' PRO . 11.3 m -137.52 125.38 14.23 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.146 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 62' ' ' VAL . 22.1 Cg_exo -64.58 69.8 0.24 Allowed 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.465 2.11 . . . . 0.0 111.978 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 62' ' ' VAL . . . 109.23 89.31 2.01 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.314 -179.744 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -48.67 173.28 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.83 0.347 . . . . 0.0 111.107 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.422 ' CB ' ' HD2' ' A' ' 67' ' ' PRO . 26.4 mtt180 63.41 167.2 0.1 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.567 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.472 ' HG2' ' HB2' ' A' ' 70' ' ' ALA . 9.5 Cg_endo -52.28 141.45 49.68 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.506 2.138 . . . . 0.0 112.07 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.449 ' HG3' ' CE1' ' A' ' 90' ' ' PHE . 38.5 Cg_endo -66.46 130.87 24.74 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.551 2.167 . . . . 0.0 112.409 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 46.59 41.07 9.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.223 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.472 ' HB2' ' HG2' ' A' ' 67' ' ' PRO . . . -57.88 -26.33 61.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.246 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.496 ' H ' HD12 ' A' ' 71' ' ' ILE . 3.2 mp -57.74 -43.57 84.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.105 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.0 m 56.96 -172.33 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.033 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.67 17.53 10.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.717 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -68.09 122.04 17.41 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.999 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.83 -148.77 17.07 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.531 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -67.96 -22.88 41.36 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.59 2.193 . . . . 0.0 112.384 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.5 m -68.05 77.03 0.23 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.966 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.33 -30.9 60.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.05 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 10.0 t -163.51 78.62 0.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.843 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -57.78 -175.94 0.48 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.569 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 32.7 t -95.59 124.92 39.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.802 0.334 . . . . 0.0 110.956 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -150.27 144.85 25.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.046 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -80.39 -74.88 1.09 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.51 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -161.64 81.32 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.8 0.333 . . . . 0.0 110.928 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -140.83 175.88 9.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -108.51 148.54 30.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.01 -24.3 62.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.104 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.432 ' HB3' ' CZ ' ' A' ' 109' ' ' PHE . 19.7 mm-40 -118.46 55.25 0.91 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.869 0.366 . . . . 0.0 111.124 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.93 103.62 9.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.492 179.638 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.451 ' CD2' ' HG2' ' A' ' 112' ' ' ARG . 3.0 m-85 -102.36 104.09 14.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.066 -179.499 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -144.91 132.4 20.84 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.606 ' CE2' HD11 ' A' ' 94' ' ' ILE . 6.9 p90 -122.0 162.45 21.11 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.962 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.444 HD13 ' HB3' ' A' ' 61' ' ' LYS . 0.6 OUTLIER -123.77 149.58 45.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.983 0.42 . . . . 0.0 111.541 -179.593 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 1.066 HG21 HD23 ' A' ' 35' ' ' LEU . 9.2 mm -120.55 108.68 23.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.378 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.798 HG22 HG23 ' A' ' 101' ' ' THR . 87.6 t -101.21 130.47 50.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.031 0.444 . . . . 0.0 111.629 -179.608 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.7 ' HA ' HG22 ' A' ' 58' ' ' THR . 0.2 OUTLIER -95.64 -174.06 3.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.258 179.105 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.5 t -82.96 -16.74 46.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.413 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.1 t -102.12 23.87 10.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.896 0.379 . . . . 0.0 111.144 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 82.85 -19.85 10.89 Favored Glycine 0 CA--C 1.52 0.389 0 C-N-CA 120.708 -0.758 . . . . 0.0 113.308 179.434 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -48.57 123.56 6.91 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 117.15 0.475 . . . . 0.0 110.749 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.798 HG23 HG22 ' A' ' 95' ' ' VAL . 1.3 m -125.36 114.56 19.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.027 0.442 . . . . 0.0 111.887 -179.386 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.67 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 33.7 m0 -97.79 106.95 19.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.182 178.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.494 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.8 OUTLIER -97.09 116.54 29.47 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.523 179.255 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.77 ' HB3' HD23 ' A' ' 10' ' ' LEU . 17.9 m-85 -123.72 164.74 18.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.372 0.606 . . . . 0.0 111.896 -179.777 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.467 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 36.4 tt0 -129.8 106.56 8.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.153 -0.931 . . . . 0.0 109.722 178.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.653 ' HB3' ' HB2' ' A' ' 112' ' ' ARG . . . -52.39 127.56 22.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.736 -179.225 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.85 -29.19 70.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.554 179.543 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -125.8 146.86 49.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.38 179.636 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.432 ' CZ ' ' HB3' ' A' ' 88' ' ' GLU . 17.6 m-85 -62.3 -34.27 76.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.155 -179.633 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.12 -43.71 70.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.126 0.489 . . . . 0.0 110.353 179.558 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.15 -31.54 72.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.618 179.534 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.653 ' HB2' ' HB3' ' A' ' 106' ' ' ALA . 7.1 tpt180 -55.97 -45.19 78.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.909 -179.651 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -74.35 -42.86 58.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.648 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -55.23 -51.42 66.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.869 0.366 . . . . 0.0 110.235 179.355 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.755 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 51.4 m95 -56.49 -56.98 14.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.655 178.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.466 HG13 HG11 ' A' ' 60' ' ' VAL . 55.9 t -53.24 -35.51 23.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-O 120.85 0.357 . . . . 0.0 110.236 179.466 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.87 -31.87 61.73 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.735 178.686 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.475 ' HB2' HG22 ' A' ' 5' ' ' ILE . . . -69.63 -35.24 75.05 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.324 179.273 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.615 ' CD1' HD21 ' A' ' 29' ' ' LEU . 4.7 mm -68.33 -52.13 40.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.417 179.521 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.669 ' HA ' HD12 ' A' ' 123' ' ' ILE . 37.7 mt-10 -67.83 -32.76 73.52 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.29 179.371 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 40.8 t -67.85 -38.6 83.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.263 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.799 ' OE1' HD12 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -69.77 -32.63 71.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.257 179.456 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.669 HD12 ' HA ' ' A' ' 120' ' ' GLU . 14.6 mt -74.09 -36.39 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.811 179.609 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.408 HD23 ' O ' ' A' ' 124' ' ' LEU . 2.5 tt -68.62 -35.56 77.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.609 179.642 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.39 -32.25 58.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.974 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -78.09 -29.49 49.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.91 -68.36 0.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.969 0.414 . . . . 0.0 110.829 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.874 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.79 0.329 . . . . 0.0 111.251 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.462 ' HB2' ' OD1' ' A' ' 32' ' ' ASN . . . -120.59 171.19 8.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.09 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.425 ' O ' HD12 ' A' ' 5' ' ' ILE . 3.1 mp -136.74 136.45 21.61 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 14.9 Cg_exo -68.6 127.82 16.14 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.614 2.209 . . . . 0.0 112.502 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.506 ' N ' HD12 ' A' ' 5' ' ' ILE . 1.7 mp -94.02 -20.06 6.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.937 179.376 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.605 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 2.6 tptt -175.39 110.31 0.11 Allowed 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 179.019 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.83 ' HB3' HG23 ' A' ' 28' ' ' THR . 22.8 pt20 -130.65 108.72 10.11 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-O 120.898 0.38 . . . . 0.0 110.508 179.432 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.0 m -162.18 -175.14 4.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.154 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.542 ' CD1' HD11 ' A' ' 41' ' ' ILE . 1.1 m-85 -85.1 136.16 33.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.116 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.792 HD23 ' HB3' ' A' ' 104' ' ' PHE . 6.0 mp -128.12 153.53 46.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.35 179.595 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.446 ' CB ' ' HB3' ' A' ' 105' ' ' GLU . 1.2 mp -89.93 135.93 33.34 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 179.288 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.428 ' HB2' ' HG3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -124.72 119.39 28.82 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.846 0.355 . . . . 0.0 111.238 -179.724 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.407 ' CG ' ' HG2' ' A' ' 20' ' ' LYS . 4.7 ttp180 -47.46 148.02 1.51 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.252 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.3 t -74.97 -47.97 26.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.977 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 167.34 -69.21 0.18 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.578 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -59.57 142.55 52.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.828 0.347 . . . . 0.0 110.945 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.87 -44.22 13.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.0 tp -59.48 -36.18 75.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.858 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.9 t30 -118.75 71.13 0.84 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.749 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.407 ' HG2' ' CG ' ' A' ' 13' ' ' ARG . 2.3 mttt -57.65 151.17 17.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -166.97 99.72 0.54 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.787 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.487 ' CZ3' ' HB2' ' A' ' 105' ' ' GLU . 4.1 m95 -93.06 139.47 30.51 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.508 -178.743 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.6 161.61 15.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.348 179.545 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.82 108.94 7.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.042 0.449 . . . . 0.0 111.156 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.449 ' CD ' ' HA ' ' A' ' 39' ' ' PRO . 3.6 mmmt -108.13 -179.08 3.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.491 179.576 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.475 ' CD1' ' HB2' ' A' ' 44' ' ' TYR . 55.5 t80 -136.05 114.63 11.85 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.223 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.638 HG21 HD22 ' A' ' 10' ' ' LEU . 1.6 t -119.05 145.26 25.39 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.392 0 CA-C-O 120.995 0.426 . . . . 0.0 111.78 -179.404 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.83 HG23 ' HB3' ' A' ' 7' ' ' GLN . 95.2 m -138.74 111.14 7.47 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.934 177.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.78 ' CD2' HD13 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -89.2 114.93 26.3 Favored 'General case' 0 N--CA 1.444 -0.741 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 177.928 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.4 ' C ' HD13 ' A' ' 5' ' ' ILE . 26.7 t -102.35 164.56 11.61 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.988 0.423 . . . . 0.0 111.532 -178.485 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.492 ' HB2' HD11 ' A' ' 5' ' ' ILE . 5.5 t -80.29 2.98 22.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.113 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.462 ' OD1' ' HB2' ' A' ' 2' ' ' ALA . 0.8 OUTLIER -92.84 26.0 2.93 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.043 179.866 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 53.26 43.26 64.29 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.602 -0.809 . . . . 0.0 111.689 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.527 ' N ' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -139.58 123.65 17.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.026 0.441 . . . . 0.0 111.516 -179.496 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.861 HD23 HG21 ' A' ' 94' ' ' ILE . 2.6 tp -101.43 116.98 34.02 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.648 179.05 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.504 ' N ' HD12 ' A' ' 35' ' ' LEU . 0.5 OUTLIER -113.03 144.03 43.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.054 0.454 . . . . 0.0 111.725 -179.226 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.445 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -152.44 125.21 8.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.34 179.234 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.483 ' HB3' ' CB ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -116.28 161.57 30.73 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.675 -179.411 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.449 ' HA ' ' CD ' ' A' ' 25' ' ' LYS . 83.6 Cg_exo -47.64 -39.95 30.33 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.722 2.282 . . . . 0.0 112.989 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.3 p -166.61 -176.2 3.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.763 0.316 . . . . 0.0 111.116 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.74 HG22 HD12 ' A' ' 45' ' ' ILE . 3.4 mp -58.23 -44.17 87.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.11 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 30.3 m120 -51.81 -27.4 12.28 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.436 0.636 . . . . 0.0 109.923 179.127 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.791 ' HA ' HG23 ' A' ' 48' ' ' THR . 4.0 m-20 -76.95 -38.92 52.39 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.811 179.553 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.475 ' HB2' ' CD1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -72.47 -51.38 20.42 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 121.248 0.547 . . . . 0.0 110.008 179.46 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.74 HD12 HG22 ' A' ' 41' ' ' ILE . 19.4 mt -56.58 -61.3 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.965 179.61 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.3 m80 -73.72 -25.69 60.33 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.743 -178.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 75.02 72.12 0.09 Allowed 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 178.769 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.791 HG23 ' HA ' ' A' ' 43' ' ' ASP . 27.6 p -86.59 -152.91 0.19 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 178.707 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -38.79 -56.37 1.36 Allowed 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.919 0.39 . . . . 0.0 111.375 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.471 ' HA2' ' CD2' ' A' ' 38' ' ' HIS . . . 59.15 99.15 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.713 179.55 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.406 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -80.42 137.78 36.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.771 0.32 . . . . 0.0 110.923 179.775 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -131.95 133.31 44.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.835 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.541 ' CE ' ' CG ' ' A' ' 102' ' ' TRP . 0.5 OUTLIER -117.28 119.32 34.81 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.525 -179.85 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -55.89 129.78 40.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.501 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.787 HD13 ' CB ' ' A' ' 122' ' ' GLN . 44.6 mt -94.91 30.55 2.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.474 -179.421 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.13 -59.27 2.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.835 0.35 . . . . 0.0 110.586 179.737 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.42 55.02 1.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.133 0.492 . . . . 0.0 110.408 179.669 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.422 ' OG1' ' HA ' ' A' ' 55' ' ' LEU . 0.1 OUTLIER -100.9 162.21 13.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.175 -179.725 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -133.01 160.64 36.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.526 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.765 HG11 HG13 ' A' ' 116' ' ' VAL . 21.7 t -131.12 122.62 51.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.579 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.435 ' HE3' HG21 ' A' ' 95' ' ' VAL . 5.3 ptpt -145.98 162.06 38.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.01 0.433 . . . . 0.0 111.614 -179.512 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.446 ' CG1' ' HD2' ' A' ' 63' ' ' PRO . 3.3 t -95.01 139.91 22.26 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.515 179.704 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.464 ' HG3' ' NE2' ' A' ' 103' ' ' HIS . 92.9 Cg_exo -45.4 91.73 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.631 2.221 . . . . 0.0 113.178 -179.445 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.28 -55.67 4.96 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.948 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.6 ttpp -72.86 167.47 20.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.986 0.422 . . . . 0.0 111.279 -179.611 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.525 ' HB2' ' HD2' ' A' ' 67' ' ' PRO . 7.2 ptm180 -82.34 171.39 12.0 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.465 179.744 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.525 ' HD2' ' HB2' ' A' ' 66' ' ' ARG . 76.1 Cg_exo -52.08 144.66 36.65 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.265 1.977 . . . . 0.0 112.137 -179.67 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.413 ' HG3' ' CZ ' ' A' ' 112' ' ' ARG . 71.2 Cg_endo -73.33 96.46 0.89 Allowed 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.643 2.229 . . . . 0.0 112.523 -179.732 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.87 140.41 24.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.737 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.62 -38.32 77.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 32.5 mm -70.64 -33.46 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.101 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 27.5 p -108.14 48.86 0.83 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.61 17.56 10.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.682 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -75.15 140.45 43.37 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.849 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 179.54 90.77 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.513 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -52.3 139.18 54.91 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.571 2.18 . . . . 0.0 112.339 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -113.76 102.99 10.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -84.53 -31.07 24.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.149 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.0 t -89.42 53.19 2.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 112.29 -166.21 12.17 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.534 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.5 p -143.33 37.07 1.36 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.824 0.345 . . . . 0.0 110.881 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -79.18 164.1 24.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.137 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -149.1 59.69 0.45 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.458 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -160.95 73.01 0.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.895 0.378 . . . . 0.0 110.921 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -154.57 32.12 0.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.099 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -153.86 31.83 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.814 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -68.25 -49.53 60.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.455 ' HA ' ' CZ ' ' A' ' 109' ' ' PHE . 2.5 mt-10 -138.77 40.83 2.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.848 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -120.95 103.6 9.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.954 0.407 . . . . 0.0 111.032 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.712 ' HD2' ' HB3' ' A' ' 106' ' ' ALA . 0.1 OUTLIER -128.57 132.3 48.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.878 179.839 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -150.19 130.69 13.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.65 -179.509 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.658 ' CE1' HD11 ' A' ' 94' ' ' ILE . 12.7 p90 -121.08 147.89 44.92 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.806 0.336 . . . . 0.0 111.368 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.409 HD23 ' HB2' ' A' ' 103' ' ' HIS . 2.7 mt -111.0 143.47 41.64 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.465 -179.418 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.861 HG21 HD23 ' A' ' 35' ' ' LEU . 11.1 mm -114.55 108.71 26.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.229 179.588 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.435 HG21 ' HE3' ' A' ' 61' ' ' LYS . 91.4 t -103.08 128.36 56.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.972 0.415 . . . . 0.0 111.845 -179.351 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.84 -174.05 3.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.093 179.067 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.6 m -88.28 0.01 56.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.549 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.5 t -114.81 23.01 12.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.89 0.376 . . . . 0.0 110.83 179.613 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 82.52 -20.57 8.73 Favored Glycine 0 CA--C 1.52 0.345 0 C-N-CA 120.723 -0.751 . . . . 0.0 113.31 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -53.4 126.81 22.61 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.977 0.389 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.446 ' HA ' ' O ' ' A' ' 94' ' ' ILE . 10.7 m -127.36 114.69 17.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.507 -179.67 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.676 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 37.3 m0 -95.32 105.8 17.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.362 179.212 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.464 ' NE2' ' HG3' ' A' ' 63' ' ' PRO . 0.9 OUTLIER -94.17 116.42 28.83 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.959 179.601 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.792 ' HB3' HD23 ' A' ' 10' ' ' LEU . 16.9 m-85 -126.62 153.82 44.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.274 0.559 . . . . 0.0 111.591 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.487 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 50.2 tt0 -116.07 108.77 16.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.602 178.643 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.712 ' HB3' ' HD2' ' A' ' 90' ' ' PHE . . . -53.45 125.05 16.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.88 -179.011 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -71.83 -31.7 66.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.234 179.179 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -120.52 136.13 54.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.27 179.502 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.542 ' CE1' ' CD1' ' A' ' 90' ' ' PHE . 0.8 OUTLIER -55.05 -51.92 64.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.289 -179.442 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.77 -39.62 85.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.994 0.426 . . . . 0.0 110.675 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.445 ' HG2' ' CD1' ' A' ' 115' ' ' TRP . 2.2 tt0 -65.46 -33.09 75.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.861 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.413 ' CZ ' ' HG3' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -56.57 -49.69 74.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.129 -179.876 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -68.67 -39.16 80.75 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.504 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 118' ' ' ALA . . . -58.74 -50.03 75.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.281 179.38 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.721 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 55.1 m95 -58.64 -54.76 43.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 178.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.765 HG13 HG11 ' A' ' 60' ' ' VAL . 53.3 t -55.02 -35.94 36.68 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.476 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -78.42 -28.14 46.73 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.297 178.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 114' ' ' ALA . . . -67.98 -51.77 43.53 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.298 179.443 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.687 HG13 HD21 ' A' ' 29' ' ' LEU . 3.6 mp -61.46 -46.12 97.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.189 179.327 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.97 -32.66 74.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.973 0.416 . . . . 0.0 110.331 179.281 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 30.7 t -70.31 -45.03 67.09 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.772 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.787 ' CB ' HD13 ' A' ' 55' ' ' LEU . 3.3 mp0 -64.18 -31.41 72.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.436 179.768 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.448 ' HA ' ' O ' ' A' ' 55' ' ' LEU . 34.8 mt -73.55 -36.25 47.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.925 179.767 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 1.5 mp -68.79 -36.35 78.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.703 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.34 -31.23 58.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.047 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.23 -28.81 47.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 16.0 mt -59.54 -47.09 86.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.812 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.912 179.972 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 120.811 0.339 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -92.14 158.52 16.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.1 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.422 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 3.8 mt -124.02 133.86 24.97 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.998 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 25.2 Cg_exo -62.26 128.06 22.81 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.386 2.057 . . . . 0.0 112.347 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.435 HG22 ' HB2' ' A' ' 118' ' ' ALA . 40.9 mm -93.84 -19.58 6.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.095 179.694 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.61 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 0.2 OUTLIER 177.08 110.71 0.02 OUTLIER 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 179.086 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.752 ' HB2' HG23 ' A' ' 28' ' ' THR . 20.8 tt0 -129.64 117.0 19.68 Favored 'General case' 0 C--N 1.311 -1.072 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.332 179.537 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 99.0 p -172.29 -175.13 1.35 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.007 0.432 . . . . 0.0 111.193 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.472 ' CE1' HD11 ' A' ' 41' ' ' ILE . 6.6 m-85 -84.64 134.92 34.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.053 -179.768 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.816 HD23 ' HB3' ' A' ' 104' ' ' PHE . 6.5 mp -126.84 151.51 48.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.651 179.745 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.641 HD22 ' OE1' ' A' ' 105' ' ' GLU . 1.1 mp -86.49 139.46 30.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.482 179.703 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.447 ' HB3' ' HD2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -130.16 108.53 10.12 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.326 -179.792 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.436 ' HB3' ' CE2' ' A' ' 22' ' ' TRP . 3.5 ptt85 -59.01 147.3 35.07 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 179.652 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.2 t -161.27 116.05 2.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.94 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 149.03 -75.37 0.26 Allowed Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.457 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 -166.13 177.38 6.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.805 0.335 . . . . 0.0 111.013 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.13 -35.53 21.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.909 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.13 -34.11 75.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.942 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -132.91 85.39 2.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.417 ' HD3' ' CZ2' ' A' ' 22' ' ' TRP . 10.1 mttt -64.26 159.63 20.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -164.33 98.66 0.82 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.808 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.501 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 4.1 m95 -92.98 134.76 34.79 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.546 -178.803 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.28 153.56 24.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.109 179.444 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.1 119.56 9.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.019 0.437 . . . . 0.0 110.932 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.447 ' HD2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -117.65 -177.32 3.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.542 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.533 ' CE1' ' CG ' ' A' ' 44' ' ' TYR . 39.2 t80 -138.84 115.1 10.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.346 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.687 HG21 HD22 ' A' ' 10' ' ' LEU . 1.8 t -121.88 147.32 25.97 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.3 0 CA-C-O 120.954 0.407 . . . . 0.0 111.764 -179.274 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.752 HG23 ' HB2' ' A' ' 7' ' ' GLN . 90.4 m -138.68 110.39 7.12 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.08 177.806 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.731 HD21 HG13 ' A' ' 119' ' ' ILE . 0.2 OUTLIER -89.53 115.27 26.82 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 177.606 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 26.6 t -105.48 161.22 14.52 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.022 0.439 . . . . 0.0 111.32 -178.614 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.1 t -76.07 2.1 13.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.195 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -91.08 26.06 2.27 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.745 0.307 . . . . 0.0 111.132 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 52.43 40.67 54.36 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.695 -0.764 . . . . 0.0 111.799 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.481 ' N ' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -138.27 123.5 19.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.067 0.461 . . . . 0.0 111.339 -179.537 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.913 HD23 HG21 ' A' ' 94' ' ' ILE . 2.0 tp -101.25 116.98 34.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.727 179.215 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.538 ' N ' HD12 ' A' ' 35' ' ' LEU . 1.0 OUTLIER -112.3 148.51 34.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.014 0.435 . . . . 0.0 111.585 -179.297 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.513 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -158.83 132.23 7.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.662 179.383 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.496 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 0.1 OUTLIER -120.09 162.99 30.71 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.27 -179.539 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.496 ' HD2' ' HB3' ' A' ' 38' ' ' HIS . 42.7 Cg_endo -68.65 -28.26 31.34 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.299 2.0 . . . . 0.0 112.73 -179.714 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 74.4 m -154.34 163.02 40.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.719 0.295 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.756 HG22 HD12 ' A' ' 45' ' ' ILE . 2.6 mp -56.23 -39.24 58.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.639 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -53.03 -28.54 24.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.296 0.57 . . . . 0.0 109.942 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.461 ' CB ' ' HB3' ' A' ' 38' ' ' HIS . 1.4 m-20 -77.06 -37.49 54.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.684 179.545 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.533 ' CG ' ' CE1' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -71.27 -51.18 25.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.256 0.551 . . . . 0.0 110.201 179.534 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.756 HD12 HG22 ' A' ' 41' ' ' ILE . 24.0 mt -60.05 -62.14 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.169 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.9 m80 -73.54 -24.55 60.14 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.69 -1.141 . . . . 0.0 112.182 -178.565 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.443 ' HA ' ' O ' ' A' ' 43' ' ' ASP . 1.5 m 76.42 73.45 0.08 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.895 0.379 . . . . 0.0 111.299 179.541 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.461 ' O ' ' HB2' ' A' ' 49' ' ' HIS . 44.1 p -120.27 117.74 28.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.618 179.461 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.461 ' HB2' ' O ' ' A' ' 48' ' ' THR . 12.6 m170 71.42 -61.15 0.49 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.23 -179.226 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.459 ' HA2' ' CD2' ' A' ' 38' ' ' HIS . . . 41.5 88.23 0.01 OUTLIER Glycine 0 N--CA 1.454 -0.103 0 CA-C-N 115.505 -0.77 . . . . 0.0 113.091 179.421 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.453 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -68.86 135.79 51.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.782 0.325 . . . . 0.0 110.644 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.503 ' HG3' HD23 ' A' ' 36' ' ' LEU . 1.9 mt-10 -131.82 133.19 44.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.546 ' HE2' ' CE2' ' A' ' 102' ' ' TRP . 0.5 OUTLIER -118.11 118.14 31.09 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.438 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -56.99 131.57 50.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.518 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.666 ' CD2' HG23 ' A' ' 119' ' ' ILE . 1.1 mt -95.99 27.55 3.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.55 -179.251 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.0 mt -83.16 -54.57 4.93 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.783 0.325 . . . . 0.0 110.746 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.29 57.0 1.42 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.655 179.73 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.574 HG22 ' O ' ' A' ' 95' ' ' VAL . 0.4 OUTLIER -105.73 162.07 13.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.037 -179.886 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.91 153.11 50.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.745 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.679 HG11 HG13 ' A' ' 116' ' ' VAL . 15.8 t -124.91 124.17 67.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.801 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.409 ' N ' ' HD2' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -155.99 164.69 38.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.908 0.385 . . . . 0.0 111.694 -179.71 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.824 HG12 ' O ' ' A' ' 91' ' ' GLU . 34.4 m -107.36 156.37 37.83 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.81 179.683 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.437 ' HG3' ' HE2' ' A' ' 103' ' ' HIS . 84.9 Cg_endo -82.49 98.73 0.92 Allowed 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.621 2.214 . . . . 0.0 112.937 -179.435 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.15 -54.91 4.91 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.919 179.504 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.11 170.55 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.824 0.345 . . . . 0.0 111.232 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -86.55 161.55 47.88 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.65 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_endo -61.83 118.64 5.53 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.439 2.093 . . . . 0.0 112.076 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -57.46 126.83 23.17 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.378 2.052 . . . . 0.0 112.18 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.36 155.59 46.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.961 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.463 ' HB3' HD12 ' A' ' 71' ' ' ILE . . . -72.3 -42.55 65.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.198 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.463 HD12 ' HB3' ' A' ' 70' ' ' ALA . 3.8 mp -126.87 -67.45 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.001 0.429 . . . . 0.0 111.182 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.6 t 61.26 115.09 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.18 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.79 17.48 10.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.724 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -86.09 165.79 16.34 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.877 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 59.14 83.22 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.51 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.35 174.47 0.1 OUTLIER 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.604 2.203 . . . . 0.0 112.293 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 93.4 p -90.59 125.13 35.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.975 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -83.95 -31.19 25.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.1 m 60.55 89.6 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 135.19 -43.78 1.23 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 26.0 m -71.55 120.23 16.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.783 0.325 . . . . 0.0 110.961 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -104.21 177.38 4.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 75.37 25.54 68.0 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.476 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -116.01 -36.96 3.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.847 0.356 . . . . 0.0 110.923 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -87.87 -167.59 1.93 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.042 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 45.65 31.68 1.02 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.435 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -61.92 -48.42 80.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.687 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.536 ' HA ' ' CZ ' ' A' ' 109' ' ' PHE . 3.6 mt-10 56.0 27.55 11.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.455 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -105.7 103.37 12.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.779 0.323 . . . . 0.0 110.979 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.579 ' CD1' ' CE1' ' A' ' 109' ' ' PHE . 0.1 OUTLIER -125.64 106.24 9.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.116 0.484 . . . . 0.0 111.315 179.665 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.824 ' O ' HG12 ' A' ' 62' ' ' VAL . 2.2 mp0 -140.93 129.88 23.18 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.946 179.65 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.619 ' CE2' HD11 ' A' ' 94' ' ' ILE . 8.2 p90 -124.97 144.8 50.18 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.964 0.412 . . . . 0.0 111.548 -179.193 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.47 HD23 ' HB2' ' A' ' 103' ' ' HIS . 0.7 OUTLIER -109.29 142.44 40.17 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.972 179.906 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.913 HG21 HD23 ' A' ' 35' ' ' LEU . 14.2 mm -110.89 108.49 25.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.355 179.469 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.846 HG22 HG23 ' A' ' 101' ' ' THR . 69.0 t -100.19 131.63 47.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.965 0.412 . . . . 0.0 111.439 -179.587 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.459 ' HA ' HG22 ' A' ' 58' ' ' THR . 0.1 OUTLIER -98.1 -174.04 2.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.161 179.323 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.9 t -83.84 -16.49 44.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.401 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.8 t -102.18 23.46 11.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.862 0.363 . . . . 0.0 111.201 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 82.06 -19.77 9.47 Favored Glycine 0 CA--C 1.52 0.382 0 C-N-CA 120.651 -0.785 . . . . 0.0 113.409 179.528 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.52 119.99 4.69 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 117.038 0.419 . . . . 0.0 110.74 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.846 HG23 HG22 ' A' ' 95' ' ' VAL . 0.8 OUTLIER -121.69 114.86 21.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.968 0.413 . . . . 0.0 111.754 -179.256 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.662 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 33.3 m0 -97.18 105.48 17.63 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.027 178.801 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.501 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.8 OUTLIER -95.03 116.4 28.65 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.696 179.539 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.816 ' HB3' HD23 ' A' ' 10' ' ' LEU . 18.6 m-85 -124.84 160.67 28.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.335 0.588 . . . . 0.0 111.811 -179.748 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.641 ' OE1' HD22 ' A' ' 11' ' ' LEU . 0.7 OUTLIER -125.86 108.61 11.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.644 178.79 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.66 ' HB3' ' HB3' ' A' ' 112' ' ' ARG . . . -53.87 121.17 7.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.572 -179.229 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.21 -34.23 73.36 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.46 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.6 p -117.67 149.31 40.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.424 179.443 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.579 ' CE1' ' CD1' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -62.85 -29.37 70.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.192 -179.582 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -74.17 -32.75 63.22 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.001 0.429 . . . . 0.0 110.967 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.29 -34.77 65.93 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.165 -179.038 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.732 ' O ' HG23 ' A' ' 116' ' ' VAL . 2.3 ppt_? -56.53 -44.44 80.81 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.0 -179.235 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.418 ' OD1' ' NE2' ' A' ' 117' ' ' GLN . 1.4 t0 -74.83 -49.66 19.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.786 0.327 . . . . 0.0 110.865 179.55 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.438 ' HB1' ' HD3' ' A' ' 6' ' ' LYS . . . -52.56 -52.64 54.01 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.556 179.699 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.706 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 53.9 m95 -56.54 -53.33 58.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.942 179.034 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 112' ' ' ARG . 83.4 t -55.53 -35.03 36.56 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-O 120.952 0.406 . . . . 0.0 110.259 179.581 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.418 ' NE2' ' OD1' ' A' ' 113' ' ' ASP . 0.9 OUTLIER -79.16 -29.19 42.9 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.589 179.173 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.435 ' HB2' HG22 ' A' ' 5' ' ' ILE . . . -66.62 -50.72 62.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.058 0.456 . . . . 0.0 110.484 179.583 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.731 HG13 HD21 ' A' ' 29' ' ' LEU . 3.9 mp -64.17 -46.95 92.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.076 179.3 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.439 ' HA ' HD12 ' A' ' 123' ' ' ILE . 2.3 mm-40 -64.87 -32.64 74.44 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.887 0.375 . . . . 0.0 110.288 179.118 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.1 m -69.31 -47.91 63.09 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.647 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.579 ' OE1' HD12 ' A' ' 29' ' ' LEU . 3.0 mp0 -60.81 -32.77 72.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.496 179.658 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.467 ' HA ' ' O ' ' A' ' 55' ' ' LEU . 33.0 mt -72.7 -36.3 52.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.869 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 40.2 tp -68.7 -37.2 79.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.734 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.34 -29.0 57.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.045 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.32 -31.44 38.09 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.993 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.429 HD22 ' HA ' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -73.65 -30.85 63.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.973 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 70.9 mm-40 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.903 -179.958 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.853 0.359 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -113.13 171.46 7.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.161 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.41 ' O ' ' HB2' ' A' ' 31' ' ' SER . 20.1 mm -117.28 132.6 23.44 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.813 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 38.9 Cg_exo -56.88 125.64 19.66 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.279 1.986 . . . . 0.0 112.409 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.453 HG22 ' HB2' ' A' ' 118' ' ' ALA . 43.3 mm -93.11 -20.7 6.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.273 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.622 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 0.3 OUTLIER 179.08 110.45 0.03 OUTLIER 'General case' 0 C--O 1.218 -0.59 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.081 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.785 ' HB3' HG23 ' A' ' 28' ' ' THR . 8.2 pt20 -129.82 108.91 10.51 Favored 'General case' 0 C--N 1.312 -1.022 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.504 179.679 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.1 m -163.63 -175.15 4.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.288 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.47 ' CE1' HD11 ' A' ' 41' ' ' ILE . 2.5 m-85 -83.23 140.3 32.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.021 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.8 HD23 ' HB3' ' A' ' 104' ' ' PHE . 5.5 mp -133.5 156.6 47.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.543 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.433 ' CD2' ' HB2' ' A' ' 22' ' ' TRP . 1.3 tp -93.83 130.66 39.77 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 179.11 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.416 ' CB ' ' HG3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -116.19 118.76 33.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.001 0.429 . . . . 0.0 111.395 -179.436 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.412 ' CG ' ' HG2' ' A' ' 20' ' ' LYS . 12.7 ttp180 -52.38 148.0 7.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.039 179.545 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 93.0 p -97.63 -37.39 9.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.968 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 158.85 162.12 11.67 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.495 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 63.22 142.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.828 0.347 . . . . 0.0 110.91 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.5 m -86.67 -55.99 3.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.96 -38.14 81.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.773 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -107.44 52.71 0.71 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.64 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.412 ' HG2' ' CG ' ' A' ' 13' ' ' ARG . 0.7 OUTLIER -57.91 161.2 4.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.215 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -170.59 100.37 0.25 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.899 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.532 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 3.4 m95 -97.58 148.69 23.02 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.325 -179.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.28 158.99 28.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.584 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt -67.54 123.41 20.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.984 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.416 ' HG3' ' CB ' ' A' ' 12' ' ' LYS . 3.6 mttp -124.96 -177.47 3.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.754 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.496 ' CE1' ' CG ' ' A' ' 44' ' ' TYR . 43.7 t80 -137.83 114.78 10.74 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.075 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.661 HG21 HD22 ' A' ' 10' ' ' LEU . 1.7 t -119.66 146.54 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.971 0.415 . . . . 0.0 111.74 -179.307 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.785 HG23 ' HB3' ' A' ' 7' ' ' GLN . 89.7 m -138.71 110.82 7.31 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.054 177.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.822 ' CD2' HD13 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -90.24 116.09 27.96 Favored 'General case' 0 N--CA 1.444 -0.725 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 177.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.2 t -105.43 159.55 15.83 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.034 0.445 . . . . 0.0 111.223 -178.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.41 ' HB2' ' O ' ' A' ' 3' ' ' ILE . 1.3 t -74.6 1.99 10.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.224 179.684 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 35.4 p30 -90.27 26.01 2.04 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-O 120.836 0.35 . . . . 0.0 111.245 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 53.73 40.6 64.24 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.609 -0.805 . . . . 0.0 111.819 -179.64 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.541 ' N ' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -137.95 126.14 23.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.974 0.416 . . . . 0.0 111.572 -179.449 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.899 HD23 HG21 ' A' ' 94' ' ' ILE . 3.5 tp -104.31 116.98 33.11 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.636 179.261 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.783 HD23 ' CG ' ' A' ' 52' ' ' GLU . 0.4 OUTLIER -114.2 147.46 38.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.976 0.417 . . . . 0.0 111.843 -179.055 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.453 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.3 OUTLIER -154.94 125.09 6.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.37 179.022 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.475 ' HB3' ' CB ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -115.3 162.02 26.71 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.748 -179.401 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.422 ' HD2' ' HB3' ' A' ' 38' ' ' HIS . 79.8 Cg_exo -48.12 -48.3 16.97 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.71 2.273 . . . . 0.0 112.751 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.0 m -154.15 -171.11 3.76 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.805 0.336 . . . . 0.0 111.171 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.679 HG22 HD12 ' A' ' 45' ' ' ILE . 3.3 mp -64.02 -43.0 97.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.011 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -51.87 -26.91 11.12 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.367 0.603 . . . . 0.0 110.134 179.267 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.74 ' HA ' HG23 ' A' ' 48' ' ' THR . 4.1 m-20 -76.84 -40.89 46.26 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.795 179.569 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.496 ' CG ' ' CE1' ' A' ' 26' ' ' TYR . 0.3 OUTLIER -71.12 -51.24 26.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.244 0.545 . . . . 0.0 110.036 179.41 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.679 HD12 HG22 ' A' ' 41' ' ' ILE . 24.4 mt -56.28 -61.94 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.022 179.587 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 10.4 m80 -73.51 -24.86 60.21 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.856 -1.065 . . . . 0.0 111.776 -178.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.8 m 74.73 71.77 0.1 Allowed 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 178.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.74 HG23 ' HA ' ' A' ' 43' ' ' ASP . 30.7 p -87.01 -153.53 0.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.758 178.716 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -39.21 -56.35 1.52 Allowed 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.978 0.418 . . . . 0.0 111.283 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.462 ' HA2' ' CD2' ' A' ' 38' ' ' HIS . . . 57.8 98.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 121.035 -0.602 . . . . 0.0 112.824 179.391 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.428 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . 1.7 mmtm -74.78 138.62 42.77 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.743 0.306 . . . . 0.0 110.783 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.783 ' CG ' HD23 ' A' ' 36' ' ' LEU . 3.9 mt-10 -132.83 133.13 42.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.016 0.436 . . . . 0.0 110.656 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.572 ' CE ' ' CG ' ' A' ' 102' ' ' TRP . 0.4 OUTLIER -119.04 121.04 38.96 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.398 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -57.0 131.13 48.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.564 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.847 HD13 ' CB ' ' A' ' 122' ' ' GLN . 24.7 mt -95.57 22.8 6.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.548 -179.619 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.08 -57.32 3.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.828 0.347 . . . . 0.0 110.729 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.81 59.1 0.88 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.532 179.685 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.58 HG22 ' O ' ' A' ' 95' ' ' VAL . 0.3 OUTLIER -113.82 161.97 16.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.42 -179.526 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -129.33 152.29 49.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.01 179.475 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.406 ' HA ' ' O ' ' A' ' 93' ' ' LEU . 14.9 p -131.5 128.76 61.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.756 0.312 . . . . 0.0 111.058 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.86 158.44 38.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.496 -179.642 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.406 ' HB ' ' HD2' ' A' ' 63' ' ' PRO . 26.0 m -99.81 155.33 36.59 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.076 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.406 ' HD2' ' HB ' ' A' ' 62' ' ' VAL . 47.0 Cg_endo -68.49 -164.76 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.382 2.054 . . . . 0.0 111.785 179.536 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -93.12 18.29 56.48 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.795 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.0 172.02 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.773 0.321 . . . . 0.0 111.188 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.402 ' CB ' ' HD2' ' A' ' 67' ' ' PRO . 1.3 mpt_? -60.98 166.69 4.41 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.502 179.743 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.402 ' HD2' ' CB ' ' A' ' 66' ' ' ARG . 23.8 Cg_endo -61.83 118.48 5.36 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.349 2.033 . . . . 0.0 112.121 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -88.68 44.99 0.89 Allowed 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 122.839 2.36 . . . . 0.0 112.631 -179.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.39 83.66 7.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.909 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.54 -31.69 72.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.041 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 36.5 mm -64.63 -32.46 57.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.033 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.12 55.68 2.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.953 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.67 17.6 10.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.752 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -59.98 86.7 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.913 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -141.72 150.35 21.88 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.465 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.56 131.25 19.74 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.561 2.174 . . . . 0.0 112.357 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.3 p -175.56 67.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -89.09 -32.09 17.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.068 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.3 m -157.4 84.63 0.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 137.57 169.79 11.72 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.636 -0.793 . . . . 0.0 112.462 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 63.4 p -135.37 163.43 30.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.854 0.359 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -140.49 136.16 32.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.021 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -91.43 59.33 3.01 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.479 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -82.06 -78.08 0.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.84 0.352 . . . . 0.0 110.854 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -132.35 153.51 50.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.133 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -94.62 84.16 4.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -58.3 -24.18 58.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.122 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.445 ' HA ' ' CE2' ' A' ' 109' ' ' PHE . 2.0 mp0 -82.49 56.99 3.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.106 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -115.18 103.48 10.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.579 ' CD1' ' N ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -128.4 112.9 14.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.017 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -141.53 132.76 26.44 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.532 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.615 ' CE1' HD11 ' A' ' 94' ' ' ILE . 20.3 p90 -122.47 156.02 34.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.816 0.341 . . . . 0.0 111.269 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.406 ' O ' ' HA ' ' A' ' 60' ' ' VAL . 0.6 OUTLIER -119.04 149.54 41.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.298 -179.593 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.899 HG21 HD23 ' A' ' 35' ' ' LEU . 8.0 mm -122.45 108.72 22.29 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.194 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.227 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.941 HG22 HG23 ' A' ' 101' ' ' THR . 58.2 t -102.54 132.71 48.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.107 0.48 . . . . 0.0 112.215 -179.143 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.501 ' HA ' HG22 ' A' ' 58' ' ' THR . 44.2 t -94.21 -174.1 3.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.235 179.029 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 56.0 p -85.83 -11.04 54.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.355 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.0 t -105.33 23.39 13.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.909 0.385 . . . . 0.0 111.171 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 83.99 -21.17 10.2 Favored Glycine 0 CA--C 1.52 0.388 0 C-N-CA 120.742 -0.742 . . . . 0.0 113.401 179.491 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.31 128.72 23.11 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 117.001 0.401 . . . . 0.0 110.836 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.941 HG23 HG22 ' A' ' 95' ' ' VAL . 1.8 m -130.36 114.81 16.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.95 0.405 . . . . 0.0 111.79 -179.675 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.665 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 35.4 m0 -95.34 105.56 17.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.222 178.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.532 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.7 OUTLIER -96.78 116.17 28.69 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.491 179.169 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.8 ' HB3' HD23 ' A' ' 10' ' ' LEU . 19.4 m-85 -122.59 161.01 24.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.249 0.547 . . . . 0.0 111.739 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.459 ' HB2' ' CE3' ' A' ' 22' ' ' TRP . 0.1 OUTLIER -123.34 106.08 10.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.704 178.792 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.503 ' HB3' ' HB2' ' A' ' 112' ' ' ARG . . . -53.41 123.45 12.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.682 -179.195 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.26 -32.68 74.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.501 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.74 137.48 52.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.448 179.538 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.554 ' CE1' ' CD1' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -52.56 -47.8 66.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.257 -179.571 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.11 -36.96 85.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.031 0.444 . . . . 0.0 110.707 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.08 -36.69 77.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.03 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.503 ' HB2' ' HB3' ' A' ' 106' ' ' ALA . 2.9 tmm_? -56.86 -48.29 78.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.017 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.495 ' O ' HG12 ' A' ' 116' ' ' VAL . 4.6 m-20 -70.39 -27.56 64.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.905 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -70.97 -48.7 51.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.041 0.448 . . . . 0.0 109.803 179.136 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.738 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 60.1 m95 -62.25 -48.79 78.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.652 178.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.495 HG12 ' O ' ' A' ' 113' ' ' ASP . 3.3 p -57.2 -35.75 49.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 121.02 0.438 . . . . 0.0 110.017 179.391 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -79.48 -32.0 42.48 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.057 179.156 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.453 ' HB2' HG22 ' A' ' 5' ' ' ILE . . . -65.09 -50.66 65.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.319 179.335 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.668 HG13 HD21 ' A' ' 29' ' ' LEU . 2.7 mp -62.69 -48.37 88.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.205 179.28 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.489 ' HA ' HD12 ' A' ' 123' ' ' ILE . 5.7 mm-40 -65.04 -32.76 74.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.914 0.387 . . . . 0.0 110.261 179.312 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.9 m -66.47 -44.64 82.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.623 179.535 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.847 ' CB ' HD13 ' A' ' 55' ' ' LEU . 3.0 mp0 -65.05 -33.76 76.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.381 179.641 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.489 HD12 ' HA ' ' A' ' 120' ' ' GLU . 23.9 mt -73.95 -37.94 48.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.695 179.558 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 6.0 tp -68.73 -35.21 76.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.709 179.67 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -74.23 -35.29 63.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.923 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 27.4 m -71.41 -30.01 65.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.836 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 31.7 mt -66.6 -47.65 72.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.927 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 24.4 pt20 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.942 179.964 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.766 0.317 . . . . 0.0 111.201 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.442 ' O ' HD13 ' A' ' 3' ' ' ILE . . . -120.49 171.66 8.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.207 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.442 HD13 ' O ' ' A' ' 2' ' ' ALA . 20.2 mm -130.42 137.34 30.62 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.811 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo -55.46 126.59 23.0 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.279 1.986 . . . . 0.0 112.37 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.423 ' CG2' ' HB1' ' A' ' 118' ' ' ALA . 36.4 mm -94.61 -20.1 6.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.329 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.611 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 2.3 tptt 178.37 110.74 0.03 OUTLIER 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 179.011 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.75 ' HB2' HG23 ' A' ' 28' ' ' THR . 0.1 OUTLIER -129.44 111.15 12.5 Favored 'General case' 0 C--N 1.313 -1.002 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.364 179.585 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.9 t -164.32 -175.18 3.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.276 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.556 ' CE1' HD11 ' A' ' 41' ' ' ILE . 3.8 m-85 -87.16 129.45 34.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.012 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.775 HD23 ' HB3' ' A' ' 104' ' ' PHE . 6.6 mp -120.77 157.92 28.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.572 179.419 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.452 HD23 ' HB2' ' A' ' 22' ' ' TRP . 1.4 tp -95.41 137.01 35.06 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 179.149 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.404 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.2 OUTLIER -127.75 117.22 21.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.846 0.355 . . . . 0.0 111.35 -179.514 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.8 ptt180 -59.48 148.08 34.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.858 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 46.7 t -79.65 -65.98 0.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.921 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 159.42 58.97 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.5 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -136.86 104.53 5.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.897 0.379 . . . . 0.0 110.795 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.1 p -64.82 -43.73 92.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.028 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.4 tp -58.92 -36.57 74.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.944 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -154.15 107.18 2.88 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.91 165.62 0.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.198 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -164.78 97.91 0.76 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.8 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.533 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 2.3 m95 -98.0 141.83 30.47 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.318 -178.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.48 160.35 20.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.379 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.5 mmtp -63.03 120.13 10.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.772 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.425 ' HD2' ' HA ' ' A' ' 39' ' ' PRO . 2.7 tptt -120.14 175.87 5.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.072 -179.76 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.502 ' CE1' ' CG ' ' A' ' 44' ' ' TYR . 50.7 t80 -135.97 115.3 12.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.333 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.633 HG21 HD22 ' A' ' 10' ' ' LEU . 1.6 t -123.84 147.25 28.31 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.324 0 CA-C-O 121.008 0.432 . . . . 0.0 112.142 -179.14 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.75 HG23 ' HB2' ' A' ' 7' ' ' GLN . 87.0 m -138.76 110.54 7.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.974 177.574 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.797 HD12 ' OE1' ' A' ' 122' ' ' GLN . 0.2 OUTLIER -89.37 115.68 27.01 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 178.123 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.2 t -104.98 157.97 16.86 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.931 0.396 . . . . 0.0 111.021 -178.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.4 ' HB2' ' O ' ' A' ' 3' ' ' ILE . 1.5 t -73.74 1.1 11.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.302 179.664 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -88.85 26.21 1.59 Allowed 'General case' 0 CA--C 1.523 -0.094 0 CA-C-O 120.83 0.347 . . . . 0.0 111.427 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 52.81 39.28 55.36 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.591 -0.814 . . . . 0.0 111.686 -179.689 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.424 ' CA ' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -137.08 123.51 20.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.957 0.408 . . . . 0.0 111.263 -179.484 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.969 HD23 HG21 ' A' ' 94' ' ' ILE . 2.8 tp -102.46 117.01 33.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.721 179.157 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.889 HD23 ' HG2' ' A' ' 52' ' ' GLU . 0.4 OUTLIER -112.45 144.9 41.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.96 0.41 . . . . 0.0 111.615 -179.062 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.451 ' CE1' ' CB ' ' A' ' 51' ' ' LYS . 0.2 OUTLIER -153.49 131.81 12.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.451 179.389 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.489 ' CD2' ' HA2' ' A' ' 50' ' ' GLY . 0.2 OUTLIER -120.9 160.02 46.54 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.821 -179.3 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.425 ' HA ' ' HD2' ' A' ' 25' ' ' LYS . 73.0 Cg_exo -49.47 -30.11 20.11 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.729 2.286 . . . . 0.0 112.693 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -176.55 -174.66 0.59 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.815 0.34 . . . . 0.0 111.104 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.781 HG22 HD12 ' A' ' 45' ' ' ILE . 3.8 mp -59.16 -47.74 89.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -51.78 -28.27 14.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.384 0.611 . . . . 0.0 110.197 179.305 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.424 ' HB2' ' CB ' ' A' ' 38' ' ' HIS . 3.7 m-20 -76.93 -40.31 47.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.751 179.59 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.502 ' CG ' ' CE1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -70.06 -51.26 33.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.18 0.514 . . . . 0.0 110.185 179.503 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.781 HD12 HG22 ' A' ' 41' ' ' ILE . 23.0 mt -58.74 -62.35 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.426 -0.807 . . . . 0.0 111.089 179.79 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.7 m80 -73.37 -24.58 60.34 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.827 -1.079 . . . . 0.0 112.29 -178.534 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 m 76.83 74.09 0.07 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.917 0.389 . . . . 0.0 111.188 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 43.2 p -120.69 118.83 31.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.925 179.653 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 77.87 -60.14 0.43 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.519 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.489 ' HA2' ' CD2' ' A' ' 38' ' ' HIS . . . 45.46 89.19 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.235 0 CA-C-N 115.644 -0.707 . . . . 0.0 113.112 179.66 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.451 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -87.12 131.11 34.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.868 0.366 . . . . 0.0 110.827 179.86 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.889 ' HG2' HD23 ' A' ' 36' ' ' LEU . 11.3 mt-10 -130.19 133.22 46.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.102 0.477 . . . . 0.0 110.926 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.531 ' CE ' ' CG ' ' A' ' 102' ' ' TRP . 0.4 OUTLIER -115.87 119.76 37.01 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.272 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -60.03 124.78 21.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.457 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.476 ' O ' ' HA ' ' A' ' 123' ' ' ILE . 0.8 OUTLIER -92.32 41.82 1.08 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.473 -179.556 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.4 tp -83.31 -61.61 1.8 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.787 0.327 . . . . 0.0 110.83 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 70.8 mtt180 -125.14 36.34 4.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.694 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.601 HG22 ' O ' ' A' ' 95' ' ' VAL . 0.7 OUTLIER -75.53 161.44 29.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.83 -179.915 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -130.09 151.64 50.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.502 179.73 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 5.2 m -119.74 127.06 75.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.672 ' HE3' HG21 ' A' ' 95' ' ' VAL . 0.5 OUTLIER -147.07 164.25 33.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.864 0.364 . . . . 0.0 111.393 -179.775 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.5 m -115.75 155.15 47.93 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.988 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_endo -56.35 -163.82 0.02 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.284 0 C-N-CA 122.588 2.192 . . . . 0.0 112.031 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -94.73 61.15 1.71 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.48 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.11 171.28 9.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.891 0.376 . . . . 0.0 110.898 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.4 161.98 29.45 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.029 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.41 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 57.0 Cg_endo -71.02 118.73 5.85 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.564 2.176 . . . . 0.0 112.281 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.443 ' HB3' ' CE1' ' A' ' 90' ' ' PHE . 34.1 Cg_exo -59.85 102.7 0.18 Allowed 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.583 2.188 . . . . 0.0 112.282 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -79.12 100.87 7.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.07 -56.09 25.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.211 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.7 mt -74.69 -39.18 46.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.134 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.5 m 58.06 43.72 20.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.943 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.73 17.65 10.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.723 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -139.55 -170.58 2.95 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.841 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 62.57 104.01 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.488 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -67.66 129.7 20.51 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.453 2.102 . . . . 0.0 112.311 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 35.2 m -151.79 139.6 19.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.95 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.11 -32.43 73.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.178 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 10.8 t -172.21 80.86 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 67.64 -118.35 9.77 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.506 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -129.63 165.74 21.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.761 0.315 . . . . 0.0 110.851 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.86 -173.79 0.39 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.108 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -108.7 36.14 4.53 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.472 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -110.42 -33.97 6.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.765 0.317 . . . . 0.0 110.826 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -153.29 137.22 16.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.142 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.03 102.34 10.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.886 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.64 -23.96 64.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.196 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.432 ' HB3' ' CZ ' ' A' ' 109' ' ' PHE . 29.7 mp0 -91.8 24.9 2.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.484 -179.685 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -70.98 109.38 5.05 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.79 0.329 . . . . 0.0 110.515 179.666 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.49 ' CZ ' ' CD2' ' A' ' 109' ' ' PHE . 4.1 m-30 -93.65 104.11 16.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.202 -179.379 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -139.86 129.89 24.94 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.708 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.599 ' CE1' HD11 ' A' ' 94' ' ' ILE . 36.1 p90 -122.95 156.82 33.95 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.858 0.361 . . . . 0.0 110.862 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.401 ' HG ' ' CG ' ' A' ' 103' ' ' HIS . 0.5 OUTLIER -119.18 142.79 47.66 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.353 -179.471 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.969 HG21 HD23 ' A' ' 35' ' ' LEU . 12.6 mm -113.82 108.66 26.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.323 179.675 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.672 HG21 ' HE3' ' A' ' 61' ' ' LYS . 99.3 t -99.84 130.11 49.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.989 0.423 . . . . 0.0 111.727 -179.528 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.594 ' HA ' HG22 ' A' ' 58' ' ' THR . 0.3 OUTLIER -93.21 -174.2 3.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.24 179.273 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.7 t -83.95 -18.54 36.94 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.33 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.4 t -100.71 23.6 10.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.866 0.365 . . . . 0.0 111.133 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 84.68 -21.85 10.25 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 120.635 -0.793 . . . . 0.0 113.236 179.583 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -48.05 125.53 9.26 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.941 0.371 . . . . 0.0 110.859 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.617 HG23 HG22 ' A' ' 95' ' ' VAL . 3.0 m -127.52 114.76 17.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.961 0.41 . . . . 0.0 111.822 -179.406 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.652 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 34.6 m0 -96.69 105.39 17.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.167 178.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.533 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.7 OUTLIER -94.98 116.31 28.53 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.517 179.421 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.775 ' HB3' HD23 ' A' ' 10' ' ' LEU . 19.3 m-85 -122.98 165.97 15.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.297 0.57 . . . . 0.0 111.742 -179.696 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.419 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 34.2 tt0 -132.95 101.1 5.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.864 179.137 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.695 ' HB3' ' HB2' ' A' ' 112' ' ' ARG . . . -50.38 126.61 15.46 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.695 -179.248 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.64 -30.66 70.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.703 179.599 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.42 154.39 33.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.699 179.734 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.49 ' CD2' ' CZ ' ' A' ' 90' ' ' PHE . 4.2 m-85 -65.23 -55.19 19.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.056 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.49 -32.79 70.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.742 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.87 -39.23 87.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.695 ' HB2' ' HB3' ' A' ' 106' ' ' ALA . 0.2 OUTLIER -56.57 -49.31 75.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.04 -179.73 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -63.34 -45.83 89.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.654 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 118' ' ' ALA . . . -54.11 -51.67 63.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.857 0.361 . . . . 0.0 110.27 179.426 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.712 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 53.0 m95 -56.82 -54.66 43.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.93 178.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 112' ' ' ARG . 95.9 t -55.08 -35.64 35.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.966 0.412 . . . . 0.0 110.315 179.609 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.23 -27.96 42.48 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.375 179.109 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.423 ' HB1' ' CG2' ' A' ' 5' ' ' ILE . . . -72.88 -38.26 67.03 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.423 179.498 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.673 HG12 HD12 ' A' ' 94' ' ' ILE . 1.9 mp -70.07 -49.02 59.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.212 179.42 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.765 ' HA ' HD12 ' A' ' 123' ' ' ILE . 0.0 OUTLIER -66.82 -32.58 73.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.682 -0.236 . . . . 0.0 110.701 179.458 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 83.4 p -69.93 -38.83 76.32 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-O 120.882 0.372 . . . . 0.0 110.154 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.797 ' OE1' HD12 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -65.83 -33.11 75.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.059 0.457 . . . . 0.0 109.912 179.075 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.765 HD12 ' HA ' ' A' ' 120' ' ' GLU . 18.3 mt -72.25 -37.83 60.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.059 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.2 tp -68.38 -34.53 76.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.38 -35.14 58.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.071 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.1 t -78.27 -30.78 48.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.514 HD12 HG22 ' A' ' 123' ' ' ILE . 5.4 mt -71.16 -46.5 61.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.896 179.953 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.684 ' N ' ' HG ' ' A' ' 31' ' ' SER . 1.6 mp . . . . . 0 N--CA 1.455 -0.177 0 CA-C-O 120.614 0.245 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 37.6 Cg_exo -60.42 130.47 33.94 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.554 2.169 . . . . 0.0 112.249 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.432 HG22 ' HB2' ' A' ' 118' ' ' ALA . 29.4 mm -95.77 -19.83 6.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.142 179.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.614 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 0.0 OUTLIER 176.21 110.76 0.02 OUTLIER 'General case' 0 C--O 1.217 -0.654 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 179.007 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.713 ' HB3' HG23 ' A' ' 28' ' ' THR . 1.9 pt20 -130.59 111.73 12.5 Favored 'General case' 0 C--N 1.313 -0.994 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.43 179.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -166.21 -175.46 3.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.24 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.62 ' CE1' HD11 ' A' ' 41' ' ' ILE . 0.7 OUTLIER -79.13 149.38 32.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.926 -179.741 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.839 HD23 ' HB3' ' A' ' 104' ' ' PHE . 3.6 mp -144.33 149.76 36.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.642 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.482 HD23 ' HB2' ' A' ' 22' ' ' TRP . 1.1 mp -89.07 137.23 32.51 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.007 179.349 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.433 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.2 OUTLIER -129.49 122.82 30.05 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.94 0.4 . . . . 0.0 111.368 -179.494 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.46 ' HG2' ' CE2' ' A' ' 22' ' ' TRP . 30.6 mtm180 . . . . . 0 C--N 1.332 -0.181 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.318 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.2 mttt . . . . . 0 N--CA 1.456 -0.152 0 CA-C-O 121.03 0.443 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -167.43 99.45 0.5 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.854 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.494 ' N ' ' CD1' ' A' ' 22' ' ' TRP . 3.5 m95 -94.82 136.68 34.84 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.504 -178.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.36 159.26 17.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.47 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -70.46 120.19 15.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.979 0.418 . . . . 0.0 111.122 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.445 ' HD2' ' HA ' ' A' ' 39' ' ' PRO . 44.7 mmtt -122.68 -175.02 3.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.388 179.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.456 ' CE1' ' HB2' ' A' ' 44' ' ' TYR . 50.8 t80 -141.28 114.65 8.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.236 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.677 HG21 HD22 ' A' ' 10' ' ' LEU . 1.9 t -116.02 148.23 18.88 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.412 0 CA-C-O 121.052 0.453 . . . . 0.0 111.583 -179.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.713 HG23 ' HB3' ' A' ' 7' ' ' GLN . 89.7 m -138.65 111.53 7.78 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.076 178.056 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.732 HD12 ' OE1' ' A' ' 122' ' ' GLN . 0.2 OUTLIER -90.74 114.9 27.36 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 177.861 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.1 t -102.95 162.53 12.85 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.011 0.434 . . . . 0.0 111.392 -178.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.684 ' HG ' ' N ' ' A' ' 3' ' ' ILE . 83.1 p -76.94 2.52 14.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.191 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 -92.75 26.04 2.88 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-O 120.758 0.313 . . . . 0.0 111.256 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.448 ' C ' HD12 ' A' ' 55' ' ' LEU . . . 54.3 42.71 74.59 Favored Glycine 0 N--CA 1.448 -0.567 0 C-N-CA 120.577 -0.821 . . . . 0.0 111.672 -179.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.585 ' N ' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -138.73 132.73 31.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.075 0.464 . . . . 0.0 111.622 -179.426 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.924 HD23 HG21 ' A' ' 94' ' ' ILE . 1.8 tp -112.6 116.8 30.77 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.749 179.252 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.532 ' N ' HD12 ' A' ' 35' ' ' LEU . 0.3 OUTLIER -116.32 147.66 41.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.952 0.406 . . . . 0.0 111.659 -179.101 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.431 ' CE1' ' HB3' ' A' ' 51' ' ' LYS . 1.0 OUTLIER -149.3 129.36 13.54 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.743 179.373 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.487 ' CD2' ' HA3' ' A' ' 50' ' ' GLY . 0.3 OUTLIER -117.76 161.96 31.42 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.835 -179.318 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.445 ' HA ' ' HD2' ' A' ' 25' ' ' LYS . 76.9 Cg_exo -49.82 -37.7 45.84 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.669 2.246 . . . . 0.0 112.588 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.36 -168.85 1.46 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.81 0.338 . . . . 0.0 111.212 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.659 HG22 HD12 ' A' ' 45' ' ' ILE . 3.4 mp -67.7 -44.55 85.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.882 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.518 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 2.4 p-10 -51.95 -26.4 10.38 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.425 0.631 . . . . 0.0 109.938 179.051 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.453 ' CB ' ' HB3' ' A' ' 38' ' ' HIS . 3.7 m-20 -76.8 -40.41 48.19 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.832 179.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.456 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -70.73 -51.12 29.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.258 0.551 . . . . 0.0 110.149 179.54 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.659 HD12 HG22 ' A' ' 41' ' ' ILE . 24.7 mt -58.0 -62.12 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.087 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.518 ' CD2' ' O ' ' A' ' 42' ' ' ASN . 14.6 m-70 -73.46 -24.52 60.23 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.722 -1.127 . . . . 0.0 112.125 -178.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 75.81 68.33 0.07 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.97 0.414 . . . . 0.0 111.567 179.484 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.451 ' O ' ' HB3' ' A' ' 43' ' ' ASP . 43.6 p -141.73 116.57 9.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.143 179.17 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 68.3 88.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 -178.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.487 ' HA3' ' CD2' ' A' ' 38' ' ' HIS . . . -143.98 91.08 0.16 Allowed Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.684 -179.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.431 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 4.0 tptt -68.63 144.76 54.38 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.914 0.388 . . . . 0.0 111.212 -179.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.444 ' HB3' HD23 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -129.55 137.85 50.99 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.497 179.882 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.537 ' HE2' ' CE2' ' A' ' 102' ' ' TRP . 0.5 OUTLIER -121.72 120.64 35.27 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.519 -179.58 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -57.46 133.76 55.48 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.815 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.867 HD13 ' CB ' ' A' ' 122' ' ' GLN . 46.9 mt -98.31 26.8 5.11 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.344 -179.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.02 -46.66 12.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.793 0.33 . . . . 0.0 110.983 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -135.12 57.22 1.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.792 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.655 HG22 ' O ' ' A' ' 95' ' ' VAL . 0.6 OUTLIER -110.67 161.8 15.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.937 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.54 151.41 48.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.221 179.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.466 ' HA ' ' O ' ' A' ' 93' ' ' LEU . 13.5 p . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.028 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.483 ' CE1' ' CE2' ' A' ' 109' ' ' PHE . 26.0 m-85 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 121.018 0.437 . . . . 0.0 111.442 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.7 mp0 -147.72 129.8 15.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.154 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.617 ' CE2' HD11 ' A' ' 94' ' ' ILE . 7.5 p90 -122.68 152.97 40.02 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.964 0.412 . . . . 0.0 111.396 -179.214 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.466 ' O ' ' HA ' ' A' ' 60' ' ' VAL . 3.2 mp -116.56 145.12 43.58 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.302 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.924 HG21 HD23 ' A' ' 35' ' ' LEU . 6.0 mm -114.44 108.45 25.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.949 179.319 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.882 HG22 HG23 ' A' ' 101' ' ' THR . 52.8 t -97.26 129.27 47.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.155 0.502 . . . . 0.0 112.118 -179.109 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.521 ' HA ' HG22 ' A' ' 58' ' ' THR . 0.2 OUTLIER -92.67 -173.91 3.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.222 179.277 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.7 -18.62 40.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.415 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.0 t -100.26 23.42 10.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.895 0.379 . . . . 0.0 111.261 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 82.85 -20.6 9.15 Favored Glycine 0 CA--C 1.519 0.329 0 C-N-CA 120.591 -0.814 . . . . 0.0 113.278 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -51.88 120.3 5.17 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 117.051 0.425 . . . . 0.0 110.704 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.882 HG23 HG22 ' A' ' 95' ' ' VAL . 1.4 m -120.63 114.62 21.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.017 0.437 . . . . 0.0 111.872 -179.351 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.685 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 38.7 m0 -90.04 105.68 17.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.208 178.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.491 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.8 OUTLIER -97.37 116.32 29.36 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.406 -0.518 . . . . 0.0 110.692 179.545 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.839 ' HB3' HD23 ' A' ' 10' ' ' LEU . 18.0 m-85 -123.31 157.85 32.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.286 0.565 . . . . 0.0 111.673 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.474 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -123.44 101.72 7.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.668 178.734 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.618 ' HB3' ' HB3' ' A' ' 112' ' ' ARG . . . -54.56 131.75 43.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.726 -179.209 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -69.32 -32.15 71.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.434 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.04 145.32 38.71 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.511 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.483 ' CE2' ' CE1' ' A' ' 90' ' ' PHE . 7.7 m-30 -66.07 -38.87 89.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.187 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -73.92 -35.23 64.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.069 0.462 . . . . 0.0 110.865 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.43 -41.06 98.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.336 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.618 ' HB3' ' HB3' ' A' ' 106' ' ' ALA . 0.0 OUTLIER -56.59 -35.21 67.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.756 0.313 . . . . 0.0 110.911 -179.613 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -72.7 -48.35 39.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.511 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.466 ' HB1' ' HD3' ' A' ' 6' ' ' LYS . . . -55.68 -46.55 77.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.179 179.421 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.717 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 56.0 m95 -59.88 -55.19 37.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.918 179.058 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 42.0 t -55.57 -34.16 34.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.964 0.411 . . . . 0.0 110.264 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -79.87 -29.89 40.13 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.202 179.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.432 ' HB2' HG22 ' A' ' 5' ' ' ILE . . . -69.48 -45.1 69.77 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.237 179.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.688 HG13 HD21 ' A' ' 29' ' ' LEU . 2.4 mp -65.5 -48.83 81.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.254 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.623 ' HA ' HD12 ' A' ' 123' ' ' ILE . 0.6 OUTLIER -66.03 -32.76 74.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.91 0.386 . . . . 0.0 110.198 179.095 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 28.0 t -67.11 -45.29 77.64 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.348 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.867 ' CB ' HD13 ' A' ' 55' ' ' LEU . 1.5 mp0 -61.99 -34.36 76.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.138 179.393 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.623 HD12 ' HA ' ' A' ' 120' ' ' GLU . 16.5 mt -73.78 -35.47 43.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.778 179.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.75 -34.31 75.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.672 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -75.73 -36.56 59.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.005 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.8 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.409 ' O ' ' HB2' ' A' ' 31' ' ' SER . 20.3 mm . . . . . 0 N--CA 1.456 -0.173 0 CA-C-O 120.636 0.255 . . . . 0.0 110.787 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.57 127.37 25.77 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.357 2.038 . . . . 0.0 112.48 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.518 ' N ' ' O ' ' A' ' 29' ' ' LEU . 16.6 mm -93.89 -17.0 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.493 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.626 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 5.4 tptt 173.32 110.96 0.02 OUTLIER 'General case' 0 C--O 1.217 -0.608 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 179.246 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.981 ' HG2' HG23 ' A' ' 28' ' ' THR . 12.0 mt-30 -125.14 113.73 18.1 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 178.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -160.7 -176.81 5.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.03 0.443 . . . . 0.0 111.579 -179.554 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.679 ' CE1' HD11 ' A' ' 41' ' ' ILE . 1.3 m-85 -93.72 123.65 37.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.776 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.848 HD23 ' HB3' ' A' ' 104' ' ' PHE . 8.7 mp -115.15 154.33 29.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.877 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.521 HD23 ' HB2' ' A' ' 22' ' ' TRP . 1.2 tp -91.49 143.88 26.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.234 179.353 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.407 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.0 OUTLIER -136.5 111.97 9.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.833 0.349 . . . . 0.0 111.221 -179.751 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.422 ' HA ' ' HA ' ' A' ' 22' ' ' TRP . 11.5 ptt85 . . . . . 0 C--N 1.331 -0.222 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.105 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.498 ' HD3' ' CZ2' ' A' ' 22' ' ' TRP . 5.5 mttt . . . . . 0 C--O 1.232 0.134 0 CA-C-O 121.065 0.46 . . . . 0.0 111.216 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -158.68 96.3 1.37 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.578 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.521 ' HB2' HD23 ' A' ' 11' ' ' LEU . 2.8 m95 -90.22 136.99 32.71 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.426 -178.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -110.5 162.73 14.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.471 179.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -68.67 123.17 20.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.029 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.455 ' O ' ' HA ' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -126.84 173.16 9.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.46 179.827 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.444 ' CE1' ' HB2' ' A' ' 44' ' ' TYR . 54.0 t80 -131.8 114.91 15.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.597 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.742 HG21 HD22 ' A' ' 10' ' ' LEU . 1.7 t -115.44 147.8 18.59 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.372 0 CA-C-O 120.808 0.337 . . . . 0.0 111.609 -179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.981 HG23 ' HG2' ' A' ' 7' ' ' GLN . 51.9 m -138.67 110.72 7.28 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.072 178.173 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.729 HD23 ' CZ3' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -90.3 117.12 28.78 Favored 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 177.587 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.6 t -108.98 161.46 15.13 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.961 0.41 . . . . 0.0 111.195 -178.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.409 ' HB2' ' O ' ' A' ' 3' ' ' ILE . 1.8 t -76.56 2.05 15.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.213 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -90.93 25.92 2.26 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-O 120.82 0.343 . . . . 0.0 111.206 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.424 ' HA2' ' HB3' ' A' ' 122' ' ' GLN . . . 53.14 40.4 59.37 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.057 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.419 ' CD1' ' HB3' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -139.23 125.14 19.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.068 0.461 . . . . 0.0 111.656 -179.622 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.84 HD23 HG21 ' A' ' 94' ' ' ILE . 2.0 tp -105.7 116.92 32.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.631 179.046 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.716 HD23 ' HG2' ' A' ' 52' ' ' GLU . 0.4 OUTLIER -112.68 146.56 38.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.918 0.389 . . . . 0.0 111.664 -179.008 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.429 ' CE1' ' HB2' ' A' ' 51' ' ' LYS . 0.5 OUTLIER -148.98 125.97 11.29 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.793 179.212 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.496 ' CD2' ' HA3' ' A' ' 50' ' ' GLY . 0.3 OUTLIER -118.26 162.52 29.59 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 115.399 -0.818 . . . . 0.0 110.695 -179.268 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -50.48 -38.27 53.52 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.547 2.165 . . . . 0.0 112.722 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 59.2 p -164.27 -169.77 1.9 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.871 0.367 . . . . 0.0 111.25 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.679 HD11 ' CE1' ' A' ' 9' ' ' PHE . 3.5 mp -67.12 -44.51 87.96 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.932 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.513 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 16.1 m120 -51.86 -26.38 9.93 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.441 0.639 . . . . 0.0 109.995 179.073 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.479 ' HB3' ' O ' ' A' ' 48' ' ' THR . 13.0 m-20 -76.82 -41.92 42.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.739 179.484 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.444 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 0.5 OUTLIER -68.68 -51.21 44.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.249 0.547 . . . . 0.0 110.123 179.464 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.657 HD12 HG22 ' A' ' 41' ' ' ILE . 29.8 mt -58.6 -62.5 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.267 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.513 ' CD2' ' O ' ' A' ' 42' ' ' ASN . 15.1 m-70 -73.59 -24.31 60.05 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.809 -1.087 . . . . 0.0 112.324 -178.455 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 76.72 73.82 0.08 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.039 0.447 . . . . 0.0 111.198 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.479 ' O ' ' HB3' ' A' ' 43' ' ' ASP . 50.3 p -145.94 117.91 8.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.113 179.283 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 4.7 m80 64.32 88.35 0.1 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 -178.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.496 ' HA3' ' CD2' ' A' ' 38' ' ' HIS . . . -143.32 90.39 0.17 Allowed Glycine 0 N--CA 1.448 -0.548 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.659 -179.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.429 ' HB2' ' CE1' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -68.59 144.48 54.51 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.877 0.37 . . . . 0.0 111.182 -179.238 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.716 ' HG2' HD23 ' A' ' 36' ' ' LEU . 50.6 mt-10 -128.29 133.16 48.69 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.383 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.531 ' CE ' ' CG ' ' A' ' 102' ' ' TRP . 0.5 OUTLIER -116.71 122.62 45.03 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.587 -179.768 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -56.47 132.3 50.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.655 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.764 HD13 ' CB ' ' A' ' 122' ' ' GLN . 13.7 mt -96.04 24.68 5.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.358 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 tt -83.29 -61.46 1.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.238 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.2 ttm180 -117.67 43.76 2.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.182 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.541 HG22 ' O ' ' A' ' 95' ' ' VAL . 0.3 OUTLIER -94.9 162.08 13.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.947 0.403 . . . . 0.0 110.815 179.831 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -131.66 156.72 45.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.627 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.8 m . . . . . 0 C--N 1.326 -0.421 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.633 179.647 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.47 ' CE1' ' CE2' ' A' ' 109' ' ' PHE . 2.7 m-85 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.812 0.339 . . . . 0.0 111.464 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -133.28 130.1 38.49 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.665 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.613 ' CE1' HD11 ' A' ' 94' ' ' ILE . 13.0 p90 -124.26 153.18 42.06 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.71 0.29 . . . . 0.0 110.965 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.503 ' O ' HD13 ' A' ' 94' ' ' ILE . 1.3 mp -115.88 159.56 21.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.071 0.463 . . . . 0.0 111.824 -179.296 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.84 HG21 HD23 ' A' ' 35' ' ' LEU . 11.7 mm -130.26 108.57 16.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.291 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 1.01 HG22 HG23 ' A' ' 101' ' ' THR . 57.7 t -102.1 133.21 46.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.799 0.333 . . . . 0.0 111.785 -179.496 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.502 ' HA ' HG22 ' A' ' 58' ' ' THR . 0.0 OUTLIER -98.85 -174.14 2.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.514 179.33 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 48.2 t -85.29 -3.6 58.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.55 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.6 t -110.56 21.39 16.66 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.827 0.346 . . . . 0.0 111.083 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 81.88 -19.93 8.84 Favored Glycine 0 CA--C 1.52 0.345 0 C-N-CA 120.812 -0.709 . . . . 0.0 113.425 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.83 126.62 26.46 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 117.01 0.405 . . . . 0.0 110.728 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 1.01 HG23 HG22 ' A' ' 95' ' ' VAL . 1.4 m -126.07 114.68 18.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.482 -179.662 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.625 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 36.7 m0 -93.42 105.44 17.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.168 179.052 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.513 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.7 OUTLIER -94.63 116.13 28.39 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.514 179.26 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.848 ' HB3' HD23 ' A' ' 10' ' ' LEU . 29.5 m-85 -122.12 164.84 17.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.276 0.56 . . . . 0.0 111.78 -179.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.455 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -128.16 103.6 7.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.552 178.784 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.547 ' HB3' ' HB3' ' A' ' 112' ' ' ARG . . . -54.04 123.59 13.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.618 -179.197 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.44 -29.18 67.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.764 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -117.79 150.63 38.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.603 179.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.47 ' CE2' ' CE1' ' A' ' 90' ' ' PHE . 8.0 m-30 -66.11 -41.34 90.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -73.79 -32.6 63.83 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.986 0.422 . . . . 0.0 110.542 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.19 -40.53 85.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.458 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.547 ' HB3' ' HB3' ' A' ' 106' ' ' ALA . 0.0 OUTLIER -57.05 -34.13 67.93 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.767 0.318 . . . . 0.0 110.865 -179.731 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.525 ' O ' HG12 ' A' ' 116' ' ' VAL . 0.5 OUTLIER -74.76 -42.56 58.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.806 179.707 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.483 ' HB1' ' HD3' ' A' ' 6' ' ' LYS . . . -61.05 -46.53 90.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.92 0.39 . . . . 0.0 110.037 179.438 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.729 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 59.2 m95 -63.48 -51.79 64.09 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.764 178.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.525 HG12 ' O ' ' A' ' 113' ' ' ASP . 1.1 p -57.63 -32.44 42.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.884 0.373 . . . . 0.0 110.217 179.426 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -82.51 -30.92 29.5 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.196 179.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.445 ' HB1' ' CG2' ' A' ' 5' ' ' ILE . . . -67.46 -47.45 70.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.018 179.274 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.684 HG13 HD21 ' A' ' 29' ' ' LEU . 2.4 mp -64.98 -51.15 70.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.481 -0.782 . . . . 0.0 109.635 178.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.627 ' HA ' HD12 ' A' ' 123' ' ' ILE . 6.0 mm-40 -61.53 -32.7 72.77 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.117 179.005 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.4 m -63.96 -49.5 72.3 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.425 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.764 ' CB ' HD13 ' A' ' 55' ' ' LEU . 92.9 mm-40 -62.14 -39.67 93.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.551 179.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.627 HD12 ' HA ' ' A' ' 120' ' ' GLU . 14.3 mt -66.53 -41.18 88.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.88 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 17.1 tp -60.7 -36.3 78.46 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.675 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.31 -28.38 56.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.094 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.272 -179.717 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.439 ' O ' ' HB2' ' A' ' 31' ' ' SER . 17.9 mt . . . . . 0 N--CA 1.455 -0.205 0 CA-C-O 120.591 0.234 . . . . 0.0 110.816 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -60.63 124.77 15.72 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.225 1.95 . . . . 0.0 112.391 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.507 ' N ' ' O ' ' A' ' 29' ' ' LEU . 25.7 mm -93.82 -19.82 6.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.4 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.612 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 5.1 tptt 177.72 110.96 0.03 OUTLIER 'General case' 0 C--O 1.218 -0.582 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 179.154 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.647 ' HB2' HG23 ' A' ' 28' ' ' THR . 0.0 OUTLIER -127.86 113.5 16.0 Favored 'General case' 0 C--N 1.313 -0.998 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.469 179.673 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 43.8 p -168.24 -177.15 3.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.616 ' CE1' HD11 ' A' ' 41' ' ' ILE . 3.2 m-85 -84.32 143.02 29.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.024 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.803 HD23 ' HB3' ' A' ' 104' ' ' PHE . 6.1 mp -134.76 155.19 51.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.476 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.492 HD23 ' HB2' ' A' ' 22' ' ' TRP . 1.1 tp -90.94 135.74 33.54 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.045 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.421 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.1 OUTLIER -125.97 112.91 16.47 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.862 0.363 . . . . 0.0 111.306 -179.412 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.844 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.527 0.08 0 CA-C-O 121.092 0.472 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -164.97 97.96 0.74 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.912 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.509 ' N ' ' CD1' ' A' ' 22' ' ' TRP . 2.8 m95 -97.23 136.03 38.32 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.394 -178.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.04 156.57 22.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.674 179.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.9 mmtp -64.26 119.12 9.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.116 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.42 ' HG3' ' HB2' ' A' ' 12' ' ' LYS . 35.8 mmtm -119.47 -178.34 3.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.748 179.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.48 ' O ' ' HA ' ' A' ' 37' ' ' TYR . 45.4 t80 -135.34 114.73 12.5 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.146 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.677 HG21 HD22 ' A' ' 10' ' ' LEU . 1.6 t -120.03 145.9 25.63 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.376 0 CA-C-O 120.961 0.41 . . . . 0.0 111.999 -179.342 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.652 ' O ' HD12 ' A' ' 36' ' ' LEU . 89.9 m -138.72 110.52 7.17 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.053 177.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.734 ' CD2' HD13 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -89.42 116.1 27.35 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 177.809 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.0 t -107.09 158.28 17.19 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.95 0.405 . . . . 0.0 111.289 -178.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.439 ' HB2' ' O ' ' A' ' 3' ' ' ILE . 1.1 t -74.76 2.32 10.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.141 179.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -90.25 26.05 2.03 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.857 0.361 . . . . 0.0 111.208 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.417 ' HA2' ' HB3' ' A' ' 122' ' ' GLN . . . 53.52 40.75 62.86 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.696 -0.764 . . . . 0.0 111.845 -179.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.462 ' N ' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -139.34 123.59 18.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.962 0.41 . . . . 0.0 111.726 -179.427 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.921 HD23 HG21 ' A' ' 94' ' ' ILE . 3.0 tp -103.01 117.09 33.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.542 178.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.652 HD12 ' O ' ' A' ' 28' ' ' THR . 0.4 OUTLIER -113.71 144.67 42.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.105 0.478 . . . . 0.0 111.957 -178.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.48 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.3 OUTLIER -150.83 125.0 9.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.123 179.024 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.539 ' HB3' ' CB ' ' A' ' 43' ' ' ASP . 0.6 OUTLIER -113.65 159.44 35.59 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.115 -179.014 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -49.1 -29.64 16.67 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.759 2.306 . . . . 0.0 113.123 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.87 -170.75 0.33 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.832 0.348 . . . . 0.0 111.409 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.77 HG22 HD12 ' A' ' 45' ' ' ILE . 3.4 mp -64.76 -43.73 96.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.073 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.528 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 7.2 m-20 -51.74 -27.83 13.25 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.402 0.62 . . . . 0.0 109.88 179.211 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.774 ' HA ' HG23 ' A' ' 48' ' ' THR . 3.8 m-20 -76.91 -39.6 50.26 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.839 179.426 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -71.53 -51.24 24.62 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.261 0.553 . . . . 0.0 110.054 179.612 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.77 HD12 HG22 ' A' ' 41' ' ' ILE . 19.3 mt -57.31 -61.64 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.901 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.528 ' CD2' ' O ' ' A' ' 42' ' ' ASN . 13.7 m-70 -73.44 -24.98 60.31 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.829 -1.078 . . . . 0.0 111.831 -178.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.4 t 74.7 72.04 0.1 Allowed 'General case' 0 C--O 1.232 0.155 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.774 HG23 ' HA ' ' A' ' 43' ' ' ASP . 31.1 p -87.22 -154.43 0.24 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.811 178.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -40.77 -55.85 2.32 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.93 0.395 . . . . 0.0 111.491 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.451 ' HA2' ' CD2' ' A' ' 38' ' ' HIS . . . 59.41 99.74 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.574 179.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.445 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . 0.5 OUTLIER -75.3 143.49 42.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.823 0.344 . . . . 0.0 110.938 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.616 ' HG2' HD23 ' A' ' 36' ' ' LEU . 13.2 mt-10 -138.8 133.25 31.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.646 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.545 ' CE ' ' CG ' ' A' ' 102' ' ' TRP . 0.4 OUTLIER -118.69 121.91 41.24 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.61 -179.727 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -57.35 130.45 46.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.454 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.85 HD13 ' CB ' ' A' ' 122' ' ' GLN . 18.8 mt -95.05 28.25 2.86 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.547 -179.424 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.2 -61.59 1.81 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.808 0.337 . . . . 0.0 110.982 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.414 ' NH1' ' CB ' ' A' ' 97' ' ' SER . 19.3 mtm105 -116.61 50.86 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.754 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.659 HG22 ' O ' ' A' ' 95' ' ' VAL . 0.3 OUTLIER -100.28 161.99 13.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.074 -179.871 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.14 170.01 16.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.75 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.848 HG11 HG13 ' A' ' 116' ' ' VAL . 21.9 t . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.659 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.512 ' CE2' ' CD1' ' A' ' 109' ' ' PHE . 8.2 m-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.903 0.382 . . . . 0.0 111.263 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -138.71 129.77 26.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.551 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.615 ' CE2' HD11 ' A' ' 94' ' ' ILE . 11.0 p90 -119.25 149.61 41.48 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.928 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.406 HD23 ' HB2' ' A' ' 103' ' ' HIS . 0.8 OUTLIER -112.32 141.31 46.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.77 -179.259 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.921 HG21 HD23 ' A' ' 35' ' ' LEU . 13.7 mm -111.38 108.58 25.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.191 179.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.659 ' O ' HG22 ' A' ' 58' ' ' THR . 99.0 t -96.75 132.6 40.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.961 0.41 . . . . 0.0 111.641 -179.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.34 -174.05 2.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.229 179.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.414 ' CB ' ' NH1' ' A' ' 57' ' ' ARG . 0.3 OUTLIER -83.52 -20.18 34.36 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.238 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 8.6 t -100.14 23.57 9.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.836 0.35 . . . . 0.0 111.006 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 84.16 -21.82 9.44 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 120.679 -0.772 . . . . 0.0 113.23 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.99 123.94 7.92 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.94 0.37 . . . . 0.0 110.728 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.497 ' HA ' ' O ' ' A' ' 94' ' ' ILE . 23.4 m -125.2 114.78 19.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.837 0.351 . . . . 0.0 111.836 -179.529 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.636 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 38.5 m0 -92.84 105.5 17.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.972 178.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.489 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.8 OUTLIER -94.44 116.08 28.38 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.655 179.434 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.803 ' HB3' HD23 ' A' ' 10' ' ' LEU . 17.3 m-85 -123.79 163.87 20.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.22 0.533 . . . . 0.0 111.402 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.441 ' HB3' ' CB ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -126.04 108.82 11.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.863 179.07 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -53.52 122.62 10.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.77 -179.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.65 -32.99 74.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.336 179.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -116.17 138.93 50.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.373 179.418 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.512 ' CD1' ' CE2' ' A' ' 90' ' ' PHE . 15.5 m-30 -57.32 -36.2 70.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.33 -179.483 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -73.92 -36.02 64.66 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.057 0.456 . . . . 0.0 110.891 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.47 -32.14 73.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.489 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.579 ' O ' HG23 ' A' ' 116' ' ' VAL . 0.3 OUTLIER -56.78 -41.22 77.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.795 0.331 . . . . 0.0 110.816 -179.666 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -74.8 -46.73 34.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.635 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 118' ' ' ALA . . . -54.16 -51.92 62.78 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.475 179.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.725 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 55.4 m95 -59.17 -52.63 64.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.985 179.079 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.848 HG13 HG11 ' A' ' 60' ' ' VAL . 67.6 t -57.58 -33.8 45.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 CA-C-O 120.869 0.366 . . . . 0.0 110.32 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.412 ' O ' ' CB ' ' A' ' 121' ' ' SER . 0.0 OUTLIER -80.87 -28.26 36.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.31 179.002 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 114' ' ' ALA . . . -70.97 -43.84 67.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.311 179.545 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.708 HG13 HD21 ' A' ' 29' ' ' LEU . 2.4 mp -67.32 -48.73 76.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.072 179.324 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.678 ' O ' HD12 ' A' ' 124' ' ' LEU . 4.2 mt-10 -65.67 -32.79 74.55 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.913 0.387 . . . . 0.0 110.111 179.141 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.412 ' CB ' ' O ' ' A' ' 117' ' ' GLN . 12.9 t -66.36 -45.37 80.36 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.508 179.442 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.85 ' CB ' HD13 ' A' ' 55' ' ' LEU . 56.7 mm-40 -63.12 -33.97 76.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.412 179.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.596 HD12 ' HA ' ' A' ' 120' ' ' GLU . 24.9 mt -72.24 -37.23 58.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.921 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.678 HD12 ' O ' ' A' ' 120' ' ' GLU . 0.2 OUTLIER -66.68 -35.68 80.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.58 179.574 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.44 -30.66 57.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.91 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.077 -179.94 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.6 mm . . . . . 0 N--CA 1.455 -0.189 0 CA-C-O 120.515 0.198 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -59.81 128.01 25.42 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.424 2.082 . . . . 0.0 112.469 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.441 HG22 ' HB2' ' A' ' 118' ' ' ALA . 24.8 mm -92.88 -20.13 6.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.045 179.642 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.601 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 0.2 OUTLIER 176.99 110.56 0.02 OUTLIER 'General case' 0 C--O 1.216 -0.687 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.124 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.789 ' HB3' HG23 ' A' ' 28' ' ' THR . 2.9 pt20 -130.73 109.51 10.66 Favored 'General case' 0 C--N 1.312 -1.055 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.433 179.379 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -164.59 -175.19 3.74 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.2 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.594 ' CE1' HD11 ' A' ' 41' ' ' ILE . 5.1 m-85 -81.78 132.74 35.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.117 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.796 HD23 ' HB3' ' A' ' 104' ' ' PHE . 4.5 mp -126.43 151.88 47.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.357 179.628 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.526 HD23 ' HB2' ' A' ' 22' ' ' TRP . 1.0 OUTLIER -90.28 137.36 32.41 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 179.087 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.415 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.2 OUTLIER -126.09 126.53 44.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.914 0.388 . . . . 0.0 111.218 -179.504 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.458 ' NE ' ' CD2' ' A' ' 103' ' ' HIS . 15.3 mtt180 . . . . . 0 C--N 1.332 -0.162 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.088 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.409 ' HD2' ' CD ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER . . . . . 0 CA--C 1.528 0.107 0 CA-C-O 121.111 0.481 . . . . 0.0 111.186 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -157.62 97.02 1.56 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.494 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.549 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 3.7 m95 -88.83 136.82 32.81 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.448 -178.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.29 160.42 16.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.589 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.98 117.86 8.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.09 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.458 ' HE3' ' HA ' ' A' ' 39' ' ' PRO . 0.3 OUTLIER -119.73 176.54 5.34 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.559 179.712 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.469 ' CE1' ' CG ' ' A' ' 44' ' ' TYR . 45.7 t80 -135.72 115.1 12.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.571 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.62 HG23 ' HB2' ' A' ' 10' ' ' LEU . 1.9 t -123.07 148.15 27.05 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.304 0 CA-C-O 120.947 0.403 . . . . 0.0 111.936 -179.285 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.789 HG23 ' HB3' ' A' ' 7' ' ' GLN . 95.9 m -138.89 110.57 7.11 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.06 177.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.689 HD21 HG13 ' A' ' 119' ' ' ILE . 0.2 OUTLIER -89.12 116.09 27.13 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 178.051 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.5 t -105.03 161.06 14.55 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.068 0.461 . . . . 0.0 111.392 -178.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.8 t -77.16 1.28 18.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.175 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -89.74 26.17 1.85 Allowed 'General case' 0 CA--C 1.522 -0.131 0 CA-C-O 120.814 0.34 . . . . 0.0 111.258 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 53.94 40.42 65.31 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.633 -0.794 . . . . 0.0 111.589 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.425 ' N ' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -138.2 128.68 26.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.966 0.412 . . . . 0.0 111.443 -179.454 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.972 HD23 HG21 ' A' ' 94' ' ' ILE . 2.3 tp -107.86 117.19 33.47 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.491 179.247 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.557 HD12 ' O ' ' A' ' 28' ' ' THR . 0.7 OUTLIER -112.39 143.8 42.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.039 0.447 . . . . 0.0 112.038 -178.892 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.433 ' CD2' ' HB3' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -148.93 130.06 14.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.415 179.382 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.487 ' CD2' ' HA2' ' A' ' 50' ' ' GLY . 0.2 OUTLIER -119.81 156.55 53.94 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.816 -179.479 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.458 ' HA ' ' HE3' ' A' ' 25' ' ' LYS . 59.5 Cg_exo -51.52 -28.91 29.97 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.776 2.317 . . . . 0.0 112.599 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.49 -174.68 1.22 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.841 0.353 . . . . 0.0 111.111 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.784 HG22 HD12 ' A' ' 45' ' ' ILE . 3.4 mp -63.96 -44.35 97.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.886 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.486 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 43.2 m-20 -51.89 -29.38 19.64 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.309 0.576 . . . . 0.0 110.104 179.319 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.437 ' CB ' ' HB3' ' A' ' 38' ' ' HIS . 1.7 m-20 -76.9 -38.56 53.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.837 179.476 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.469 ' CG ' ' CE1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -70.45 -51.35 29.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.233 0.539 . . . . 0.0 110.168 179.479 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.784 HD12 HG22 ' A' ' 41' ' ' ILE . 23.2 mt -59.55 -62.48 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.233 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.486 ' CD2' ' O ' ' A' ' 42' ' ' ASN . 13.1 m-70 -73.32 -24.75 60.42 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.74 -1.118 . . . . 0.0 112.292 -178.506 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.43 ' HA ' ' O ' ' A' ' 43' ' ' ASP . 1.4 m 76.61 73.03 0.07 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.827 0.346 . . . . 0.0 111.244 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 47.1 p -119.21 116.97 27.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 76.98 -59.74 0.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.459 -179.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.487 ' HA2' ' CD2' ' A' ' 38' ' ' HIS . . . 45.81 89.4 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.24 0 CA-C-N 115.564 -0.744 . . . . 0.0 113.159 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.446 ' HG2' ' CZ2' ' A' ' 102' ' ' TRP . 0.1 OUTLIER -78.9 141.24 37.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.761 0.315 . . . . 0.0 110.565 179.738 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -141.31 134.72 29.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.045 0.45 . . . . 0.0 110.931 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.561 ' CE ' ' CG ' ' A' ' 102' ' ' TRP . 0.9 OUTLIER -121.95 122.5 39.51 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.437 -179.868 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.485 ' O ' HG23 ' A' ' 58' ' ' THR . 13.5 p-10 -58.07 128.01 34.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.48 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.739 HD13 ' CB ' ' A' ' 122' ' ' GLN . 7.9 mt -91.54 20.22 5.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.797 -179.421 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -83.19 -61.64 1.8 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.784 0.326 . . . . 0.0 110.767 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.1 ttm-85 -109.86 52.56 0.72 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.664 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.615 HG22 ' O ' ' A' ' 95' ' ' VAL . 0.6 OUTLIER -106.59 162.05 14.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.174 -179.836 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.24 172.42 12.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.573 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.43 HG21 ' HG3' ' A' ' 120' ' ' GLU . 21.1 t . . . . . 0 C--N 1.327 -0.407 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.034 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.512 ' CG ' ' HG3' ' A' ' 112' ' ' ARG . 16.2 m-85 . . . . . 0 CA--C 1.527 0.085 0 CA-C-O 121.061 0.458 . . . . 0.0 111.798 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -128.11 129.87 47.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.554 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.684 ' CE2' HD11 ' A' ' 94' ' ' ILE . 5.0 p90 -130.33 151.86 50.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.95 0.405 . . . . 0.0 111.689 -179.065 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.447 ' HG ' ' CG ' ' A' ' 103' ' ' HIS . 0.6 OUTLIER -115.63 145.73 42.44 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.025 -179.862 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.972 HG21 HD23 ' A' ' 35' ' ' LEU . 11.7 mm -116.64 108.32 24.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.267 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.64 HG22 HG23 ' A' ' 101' ' ' THR . 84.8 t -97.0 131.88 42.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.873 0.368 . . . . 0.0 111.601 -179.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.4 -174.14 3.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.283 179.259 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 15.7 p -84.04 -17.3 40.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.274 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.2 t -101.89 23.39 11.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.939 0.4 . . . . 0.0 111.173 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 84.5 -21.76 10.13 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 120.799 -0.715 . . . . 0.0 113.329 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.07 128.47 16.29 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.93 0.365 . . . . 0.0 110.827 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.64 HG23 HG22 ' A' ' 95' ' ' VAL . 2.5 m -128.6 114.64 16.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.018 0.437 . . . . 0.0 111.888 -179.42 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.692 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 38.4 m0 -94.57 105.42 17.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.259 178.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.549 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.8 OUTLIER -96.84 116.16 28.68 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.302 179.069 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.796 ' HB3' HD23 ' A' ' 10' ' ' LEU . 17.5 m-85 -123.34 154.92 38.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.289 0.566 . . . . 0.0 111.906 -179.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.485 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 26.7 tt0 -121.81 93.53 4.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.303 178.31 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.631 ' HB3' ' HB3' ' A' ' 112' ' ' ARG . . . -40.6 162.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.408 -179.021 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -100.83 -51.86 3.45 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.598 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.444 ' O ' ' CD ' ' A' ' 112' ' ' ARG . 0.8 OUTLIER -98.06 133.08 43.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.888 -179.817 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.506 ' HA ' ' CG ' ' A' ' 112' ' ' ARG . 5.5 m-30 -50.27 -34.67 24.13 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.14 -179.542 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -74.13 -32.69 63.27 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.003 0.43 . . . . 0.0 110.08 178.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.6 -39.6 64.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.722 -179.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.631 ' HB3' ' HB3' ' A' ' 106' ' ' ALA . 0.0 OUTLIER -56.04 -44.19 78.57 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.472 -179.427 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -71.88 -41.03 68.5 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.527 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.546 ' HB1' ' HD3' ' A' ' 6' ' ' LYS . . . -58.27 -48.31 80.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.47 179.436 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.688 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 57.2 m95 -57.85 -53.69 55.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.972 179.331 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 74.4 t -55.61 -35.78 39.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-O 120.857 0.36 . . . . 0.0 110.181 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -79.51 -28.44 41.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.496 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.441 ' HB2' HG22 ' A' ' 5' ' ' ILE . . . -69.32 -46.63 66.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.398 179.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.689 HG13 HD21 ' A' ' 29' ' ' LEU . 2.9 mp -66.0 -47.66 84.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.121 179.338 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.43 ' HG3' HG21 ' A' ' 60' ' ' VAL . 37.7 mt-10 -65.69 -32.8 74.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.884 0.374 . . . . 0.0 110.177 179.226 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.1 m -68.2 -46.17 71.36 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.508 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.739 ' CB ' HD13 ' A' ' 55' ' ' LEU . 68.9 mm-40 -62.59 -34.96 78.04 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.397 179.565 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.411 ' HA ' ' O ' ' A' ' 55' ' ' LEU . 39.2 mt -73.95 -36.52 45.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.68 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 2.8 mp -68.64 -34.45 75.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.581 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.41 -33.23 58.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.006 179.935 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.479 ' N ' ' HG ' ' A' ' 31' ' ' SER . 10.8 mm . . . . . 0 N--CA 1.456 -0.155 0 CA-C-O 120.575 0.226 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 21.5 Cg_exo -64.62 127.54 19.08 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.39 2.06 . . . . 0.0 112.4 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.505 ' N ' ' O ' ' A' ' 29' ' ' LEU . 27.5 mm -91.69 -19.68 6.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.135 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.618 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 4.0 tptt 176.54 110.73 0.02 OUTLIER 'General case' 0 C--O 1.216 -0.676 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.212 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.686 ' HB3' HG23 ' A' ' 28' ' ' THR . 19.5 pt20 -129.88 112.7 13.81 Favored 'General case' 0 C--N 1.313 -1.019 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.597 179.471 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.4 p -166.94 -175.17 2.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.153 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.656 ' CE1' HD11 ' A' ' 41' ' ' ILE . 3.2 m-85 -83.28 140.13 32.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.059 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.842 HD23 ' HB3' ' A' ' 104' ' ' PHE . 6.5 mp -132.99 158.05 43.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.485 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.475 HD23 ' HB2' ' A' ' 22' ' ' TRP . 1.1 mp -93.96 135.01 35.75 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.15 179.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.464 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.1 OUTLIER -124.09 120.57 32.77 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.974 0.416 . . . . 0.0 111.343 -179.493 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.482 ' HG2' ' CE2' ' A' ' 22' ' ' TRP . 7.8 mtp-105 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.14 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.463 ' HD2' ' HG2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 121.073 0.463 . . . . 0.0 111.12 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -162.88 98.16 0.96 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.81 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.529 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 3.3 m95 -95.69 142.24 28.22 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.386 -178.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -117.15 156.04 28.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.564 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.48 123.63 19.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.026 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -125.25 -177.05 3.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.664 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.507 ' CE1' ' CG ' ' A' ' 44' ' ' TYR . 52.7 t80 -137.84 114.95 10.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.132 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.713 HG21 HD22 ' A' ' 10' ' ' LEU . 1.6 t -120.9 146.34 25.99 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.295 0 CA-C-O 120.945 0.402 . . . . 0.0 111.845 -179.213 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.686 HG23 ' HB3' ' A' ' 7' ' ' GLN . 95.7 m -138.77 110.84 7.3 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.028 177.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.85 ' CD2' HD13 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -89.25 115.69 26.93 Favored 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 177.906 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.6 t -105.43 161.19 14.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.06 0.457 . . . . 0.0 111.484 -178.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.479 ' HG ' ' N ' ' A' ' 3' ' ' ILE . 10.7 p -76.69 1.86 15.87 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.212 179.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 32.2 p30 -89.56 26.11 1.81 Allowed 'General case' 0 CA--C 1.521 -0.145 0 CA-C-O 120.759 0.314 . . . . 0.0 111.375 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.43 ' HA2' ' HB3' ' A' ' 122' ' ' GLN . . . 53.13 39.61 58.12 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.533 -0.842 . . . . 0.0 111.804 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.524 ' N ' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -138.73 123.61 18.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.973 0.416 . . . . 0.0 111.518 -179.431 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.896 HD23 HG21 ' A' ' 94' ' ' ILE . 3.7 tp -100.0 116.88 33.07 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 178.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.482 HD23 ' HB3' ' A' ' 52' ' ' GLU . 0.4 OUTLIER -113.31 149.27 34.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.045 0.45 . . . . 0.0 111.853 -178.866 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.447 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -158.24 130.61 7.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.277 179.247 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.497 ' CD2' ' HA2' ' A' ' 50' ' ' GLY . 0.1 OUTLIER -118.83 160.32 40.99 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.781 -179.465 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -50.56 -33.56 39.39 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.585 2.19 . . . . 0.0 112.394 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.3 t -167.09 -175.45 2.99 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.843 HG22 HD12 ' A' ' 45' ' ' ILE . 3.4 mp -63.16 -44.13 99.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.859 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.495 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 18.0 m120 -51.9 -28.98 18.1 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.31 0.576 . . . . 0.0 110.127 179.304 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.427 ' CB ' ' HB3' ' A' ' 38' ' ' HIS . 1.7 m-20 -76.87 -38.59 53.39 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.822 179.506 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.507 ' CG ' ' CE1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -70.76 -51.19 28.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.254 0.55 . . . . 0.0 110.208 179.612 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.843 HD12 HG22 ' A' ' 41' ' ' ILE . 20.4 mt -59.84 -61.94 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.192 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.495 ' CD2' ' O ' ' A' ' 42' ' ' ASN . 13.4 m-70 -73.53 -24.43 60.14 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.773 -1.103 . . . . 0.0 112.27 -178.566 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.422 ' HA ' ' O ' ' A' ' 43' ' ' ASP . 9.9 m 77.25 74.3 0.07 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.924 0.392 . . . . 0.0 111.325 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 31.9 p -123.43 120.58 33.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 179.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 77.63 -60.77 0.42 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.512 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.497 ' HA2' ' CD2' ' A' ' 38' ' ' HIS . . . 44.09 88.47 0.01 OUTLIER Glycine 0 CA--C 1.517 0.203 0 CA-C-N 115.49 -0.777 . . . . 0.0 113.277 179.587 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.438 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . 13.4 mmtt -84.45 129.37 34.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.736 0.303 . . . . 0.0 110.656 179.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.482 ' HB3' HD23 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -131.03 137.67 49.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.167 0.508 . . . . 0.0 111.146 -179.749 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.545 ' CE ' ' CG ' ' A' ' 102' ' ' TRP . 0.3 OUTLIER -121.99 122.07 38.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.365 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.48 130.67 43.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.585 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.745 HD13 ' CB ' ' A' ' 122' ' ' GLN . 14.0 mt -95.56 25.83 4.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.495 -179.555 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.19 -61.73 1.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.785 0.326 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.08 52.09 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.625 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.599 HG22 ' O ' ' A' ' 95' ' ' VAL . 0.5 OUTLIER -102.25 161.95 13.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.047 -179.877 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.07 167.29 18.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.444 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.6 m . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.032 179.97 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.502 ' CD1' ' CD1' ' A' ' 109' ' ' PHE . 3.9 m-85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.885 0.374 . . . . 0.0 111.291 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -140.95 129.87 23.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.362 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.617 ' CE1' HD11 ' A' ' 94' ' ' ILE . 30.3 p90 -123.64 159.26 29.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.859 0.361 . . . . 0.0 111.169 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.412 HD23 ' HB2' ' A' ' 103' ' ' HIS . 0.6 OUTLIER -120.35 149.63 42.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.194 -179.719 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.896 HG21 HD23 ' A' ' 35' ' ' LEU . 10.5 mm -122.24 108.45 21.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.347 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.78 HG22 HG23 ' A' ' 101' ' ' THR . 62.6 t -100.32 132.43 45.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.974 0.416 . . . . 0.0 111.79 -179.443 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.471 ' HA ' HG22 ' A' ' 58' ' ' THR . 0.2 OUTLIER -95.81 -174.08 3.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.255 179.243 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 52.7 p -88.37 -0.08 56.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.595 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.5 t -114.71 22.84 13.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.931 0.396 . . . . 0.0 110.951 179.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 83.87 -21.65 9.24 Favored Glycine 0 CA--C 1.52 0.358 0 C-N-CA 120.704 -0.76 . . . . 0.0 113.25 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -54.09 133.44 43.91 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.93 0.365 . . . . 0.0 110.747 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.78 HG23 HG22 ' A' ' 95' ' ' VAL . 2.8 m -133.5 114.75 13.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.993 0.425 . . . . 0.0 111.66 -179.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.642 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 36.7 m0 -93.8 105.53 17.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.161 178.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.529 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.7 OUTLIER -96.22 115.92 28.19 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.415 -0.514 . . . . 0.0 110.198 179.062 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.842 ' HB3' HD23 ' A' ' 10' ' ' LEU . 18.2 m-85 -121.64 163.1 19.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.258 0.551 . . . . 0.0 111.737 -179.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.436 ' HB3' ' CB ' ' A' ' 11' ' ' LEU . 37.8 tt0 -130.26 101.98 6.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.631 178.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.646 ' HB3' ' HB2' ' A' ' 112' ' ' ARG . . . -53.35 132.0 38.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.743 -179.139 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -67.84 -32.38 72.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.461 179.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.2 m -112.12 146.89 37.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.465 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.502 ' CD1' ' CD1' ' A' ' 90' ' ' PHE . 13.5 m-85 -66.04 -36.52 83.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.205 -179.65 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -73.63 -40.99 63.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.067 0.46 . . . . 0.0 110.749 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.14 -38.37 79.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.075 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.646 ' HB2' ' HB3' ' A' ' 106' ' ' ALA . 0.0 OUTLIER -56.55 -47.77 78.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.977 -179.708 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.53 ' O ' HG12 ' A' ' 116' ' ' VAL . 0.7 OUTLIER -66.55 -33.17 75.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.617 179.869 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.485 ' HB1' ' HD3' ' A' ' 6' ' ' LYS . . . -67.67 -46.83 71.24 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 179.246 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.702 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 60.1 m95 -60.79 -49.72 76.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.947 179.163 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.53 HG12 ' O ' ' A' ' 113' ' ' ASP . 1.0 OUTLIER -57.57 -34.65 47.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.96 0.41 . . . . 0.0 110.358 179.668 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.406 ' O ' ' CB ' ' A' ' 121' ' ' SER . 34.6 tt0 -80.52 -31.45 37.09 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.172 179.178 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.452 ' HB2' HG22 ' A' ' 5' ' ' ILE . . . -66.12 -48.09 72.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.473 179.497 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.701 HG13 HD21 ' A' ' 29' ' ' LEU . 2.7 mp -65.33 -48.84 81.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.987 179.245 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.48 ' HA ' HD12 ' A' ' 123' ' ' ILE . 7.2 mm-40 -64.74 -32.78 74.62 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.212 179.25 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.406 ' CB ' ' O ' ' A' ' 117' ' ' GLN . 4.8 m -66.48 -44.9 81.4 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.384 179.541 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.745 ' CB ' HD13 ' A' ' 55' ' ' LEU . 71.6 mm-40 -65.1 -35.65 81.81 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.447 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.48 HD12 ' HA ' ' A' ' 120' ' ' GLU . 18.8 mt -72.49 -34.95 49.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.963 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.6 -36.29 78.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.516 179.61 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.51 -29.94 57.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.991 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.113 -179.952 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.639 ' N ' ' HG ' ' A' ' 31' ' ' SER . 1.8 mp . . . . . 0 N--CA 1.455 -0.181 0 CA-C-O 120.363 0.125 . . . . 0.0 111.098 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 12.4 Cg_exo -69.72 127.11 14.16 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.468 2.112 . . . . 0.0 112.305 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.539 ' N ' HD12 ' A' ' 5' ' ' ILE . 1.4 mp -90.93 -20.46 6.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.703 179.447 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.607 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 0.8 OUTLIER -176.54 110.59 0.09 Allowed 'General case' 0 C--O 1.216 -0.661 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 179.087 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.771 ' HB2' HG23 ' A' ' 28' ' ' THR . 8.7 tt0 -129.07 109.4 11.16 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-O 120.793 0.33 . . . . 0.0 110.305 179.366 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.7 -175.12 3.67 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.082 -179.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.521 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.5 OUTLIER -85.17 141.45 30.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.959 -179.829 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.832 HD23 ' HB3' ' A' ' 104' ' ' PHE . 8.5 mp -132.65 158.02 43.34 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.451 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.494 HD23 ' HB2' ' A' ' 22' ' ' TRP . 1.2 tp -90.81 135.23 33.86 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 179.27 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.436 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.1 OUTLIER -123.66 109.86 14.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.229 -179.423 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.441 ' HB3' ' CE2' ' A' ' 22' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.97 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.483 ' HD3' ' CZ2' ' A' ' 22' ' ' TRP . 34.1 mttt . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 121.154 0.502 . . . . 0.0 111.205 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -162.34 97.71 1.01 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.713 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.583 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 3.2 m95 -93.15 131.87 37.82 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.394 -178.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.6 mtpp -110.29 155.72 21.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.433 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.2 mmtp -63.15 120.53 11.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.918 0.389 . . . . 0.0 110.781 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -125.52 -177.2 3.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.681 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.478 ' O ' ' HA ' ' A' ' 37' ' ' TYR . 43.0 t80 -133.73 131.67 39.68 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.359 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.727 HG21 HD22 ' A' ' 10' ' ' LEU . 1.4 t -136.56 146.59 28.5 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.277 0 CA-C-O 120.918 0.39 . . . . 0.0 111.639 -179.53 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.771 HG23 ' HB2' ' A' ' 7' ' ' GLN . 85.1 m -138.82 110.85 7.28 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.434 178.061 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.716 HD23 ' CZ3' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -89.32 115.08 26.53 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 177.495 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.465 ' C ' HD13 ' A' ' 5' ' ' ILE . 30.8 t -104.67 165.02 11.34 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.159 0.504 . . . . 0.0 111.654 -178.123 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.639 ' HG ' ' N ' ' A' ' 3' ' ' ILE . 22.0 p -79.84 1.06 28.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.097 179.654 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -89.68 26.07 1.86 Allowed 'General case' 0 CA--C 1.521 -0.151 0 CA-C-O 120.729 0.3 . . . . 0.0 111.315 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 53.29 39.43 58.82 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.562 -0.827 . . . . 0.0 111.389 -179.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.456 ' N ' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -139.16 137.31 35.96 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 121.057 0.456 . . . . 0.0 111.396 -179.402 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.79 HD23 HG21 ' A' ' 94' ' ' ILE . 1.1 tp -117.19 117.29 29.17 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.884 179.203 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.861 HD23 ' HG2' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -114.26 152.49 31.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.096 -179.516 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.478 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -156.2 131.41 9.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.215 0.531 . . . . 0.0 111.099 179.348 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.46 ' CD2' ' HA3' ' A' ' 50' ' ' GLY . 0.7 OUTLIER -115.23 161.54 29.12 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.831 -179.528 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_exo -55.89 -38.02 95.12 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.603 2.202 . . . . 0.0 112.582 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.2 m -155.37 -175.57 5.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 0.0 111.196 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.765 HG22 HD12 ' A' ' 45' ' ' ILE . 3.4 mp -67.81 -43.6 86.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.514 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 6.2 m-20 -51.86 -26.45 10.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.353 0.597 . . . . 0.0 110.121 179.175 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.467 ' HB3' ' O ' ' A' ' 48' ' ' THR . 68.9 m-20 -76.73 -40.41 48.65 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.753 179.552 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -70.96 -51.09 27.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.23 0.538 . . . . 0.0 110.09 179.582 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.765 HD12 HG22 ' A' ' 41' ' ' ILE . 18.6 mt -58.08 -62.07 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.081 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.514 ' CD2' ' O ' ' A' ' 42' ' ' ASN . 14.3 m-70 -73.5 -24.43 60.18 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 114.77 -1.105 . . . . 0.0 112.016 -178.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.9 t 77.08 72.51 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.004 0.431 . . . . 0.0 111.097 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.467 ' O ' ' HB3' ' A' ' 43' ' ' ASP . 43.8 p -147.27 117.28 7.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.045 179.41 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 67.52 88.21 0.11 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.846 -178.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.46 ' HA3' ' CD2' ' A' ' 38' ' ' HIS . . . -145.02 91.39 0.16 Allowed Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 111.499 -0.64 . . . . 0.0 111.499 -179.681 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 36' ' ' LEU . 3.4 tttm -68.29 142.8 55.45 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.876 0.37 . . . . 0.0 111.378 -179.237 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.861 ' HG2' HD23 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -131.74 162.27 30.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.308 179.77 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.658 ' HE3' ' CE2' ' A' ' 102' ' ' TRP . 5.7 ptp -147.02 153.18 39.72 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.049 0.452 . . . . 0.0 111.544 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.408 ' O ' HG23 ' A' ' 58' ' ' THR . 1.0 OUTLIER -81.66 126.81 32.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.811 -0.632 . . . . 0.0 109.5 178.908 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.801 HD13 ' CB ' ' A' ' 122' ' ' GLN . 3.5 mt -90.08 22.64 3.15 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -178.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.1 tt -83.24 -61.62 1.8 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.809 0.338 . . . . 0.0 110.721 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.2 mtm180 -108.82 51.85 0.73 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.497 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.6 HG22 ' O ' ' A' ' 95' ' ' VAL . 0.3 OUTLIER -103.1 161.91 13.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.008 -179.722 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.78 166.83 22.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.508 179.634 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.5 m . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.902 179.901 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.597 ' N ' ' CD1' ' A' ' 90' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.776 0.322 . . . . 0.0 110.926 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -146.61 131.6 18.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.637 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.652 ' CE2' HD11 ' A' ' 94' ' ' ILE . 4.6 p90 -130.14 142.85 50.55 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.822 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.485 HD21 ' HB2' ' A' ' 103' ' ' HIS . 1.2 mt -105.1 150.31 25.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.067 -179.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.79 HG21 HD23 ' A' ' 35' ' ' LEU . 7.7 mm -125.17 112.44 31.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.958 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.715 HG22 HG23 ' A' ' 101' ' ' THR . 84.8 t -103.95 129.29 56.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.906 0.384 . . . . 0.0 111.473 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.492 ' HA ' HG22 ' A' ' 58' ' ' THR . 86.2 p -93.96 -174.13 3.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.519 179.555 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 6.8 p -80.21 -21.66 42.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.158 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.2 t -97.91 24.21 7.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.93 0.395 . . . . 0.0 111.241 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 76.89 -8.11 31.32 Favored Glycine 0 CA--C 1.52 0.404 0 C-N-CA 120.785 -0.721 . . . . 0.0 113.604 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -58.55 118.62 5.82 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 117.316 0.558 . . . . 0.0 110.437 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.715 HG23 HG22 ' A' ' 95' ' ' VAL . 1.2 m -115.41 114.81 25.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.988 0.423 . . . . 0.0 111.751 -179.427 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.658 ' CE2' ' HE3' ' A' ' 53' ' ' MET . 33.3 m0 -101.0 105.58 16.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.581 179.165 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.583 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.9 OUTLIER -93.8 116.14 28.6 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.105 178.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.832 ' HB3' HD23 ' A' ' 10' ' ' LEU . 20.0 m-85 -122.44 158.89 28.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.423 0.63 . . . . 0.0 111.895 -179.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.446 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 23.3 tt0 -127.5 104.78 8.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.135 -0.938 . . . . 0.0 109.57 178.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.666 ' HB3' ' HB3' ' A' ' 112' ' ' ARG . . . -52.07 129.96 28.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.795 -179.101 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -68.85 -35.93 77.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.364 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.47 147.76 32.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.345 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.548 ' CE1' ' CD1' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -65.8 -34.18 77.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.203 -179.613 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 16.4 tm-20 -74.05 -32.71 63.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.065 0.46 . . . . 0.0 110.763 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.45 -35.45 73.34 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.765 -179.365 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.712 ' O ' HG23 ' A' ' 116' ' ' VAL . 5.4 ppt_? -56.61 -40.06 74.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.707 0.289 . . . . 0.0 110.825 -179.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.85 -48.61 24.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.571 179.361 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.407 ' O ' ' N ' ' A' ' 118' ' ' ALA . . . -52.6 -52.27 56.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.432 179.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.716 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 55.6 m95 -57.26 -53.28 59.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.959 179.175 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 112' ' ' ARG . 78.8 t -54.93 -34.45 31.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 CA-C-O 121.012 0.435 . . . . 0.0 110.122 179.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.4 ' O ' ' CB ' ' A' ' 121' ' ' SER . 0.9 OUTLIER -79.82 -29.27 40.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.206 178.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.496 ' HB2' HG22 ' A' ' 5' ' ' ILE . . . -67.82 -47.25 69.59 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-O 121.08 0.467 . . . . 0.0 110.431 179.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.677 HG13 HD21 ' A' ' 29' ' ' LEU . 3.3 mp -65.88 -48.54 81.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.018 179.303 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.754 ' HA ' HD12 ' A' ' 123' ' ' ILE . 3.0 mm-40 -65.43 -32.86 74.71 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.61 179.369 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 117' ' ' GLN . 58.2 p -69.15 -41.55 77.12 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.426 179.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.801 ' CB ' HD13 ' A' ' 55' ' ' LEU . 66.8 mm-40 -66.08 -31.07 71.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.267 179.422 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.754 HD12 ' HA ' ' A' ' 120' ' ' GLU . 17.8 mt -73.21 -38.29 54.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.931 179.706 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.401 HD23 ' O ' ' A' ' 124' ' ' LEU . 9.6 tt -68.69 -35.62 77.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.747 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.37 -30.52 57.6 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.947 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.928 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.441 ' CG2' ' HD2' ' A' ' 4' ' ' PRO . 1.8 mt . . . . . 0 N--CA 1.455 -0.2 0 CA-C-O 120.515 0.198 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.441 ' HD2' ' CG2' ' A' ' 3' ' ' ILE . 18.0 Cg_endo -59.93 127.09 22.17 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.355 2.036 . . . . 0.0 112.376 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.438 HG22 ' HB2' ' A' ' 118' ' ' ALA . 47.2 mm -91.97 -20.27 6.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.13 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.619 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 0.0 OUTLIER 179.93 110.5 0.04 OUTLIER 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 179.278 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.791 ' HB3' HG23 ' A' ' 28' ' ' THR . 12.4 pt20 -129.47 109.74 11.3 Favored 'General case' 0 C--N 1.311 -1.095 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.624 179.454 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.83 -175.12 3.63 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.268 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.571 ' O ' HD12 ' A' ' 10' ' ' LEU . 2.0 m-85 -83.62 140.96 31.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.082 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 1.094 HD22 HG21 ' A' ' 27' ' ' VAL . 10.8 mp -131.5 156.31 45.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.514 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.674 HD22 ' OE1' ' A' ' 105' ' ' GLU . 1.2 tp -94.02 142.08 27.79 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 179.069 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.408 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.1 OUTLIER -134.6 111.11 9.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.906 0.384 . . . . 0.0 111.301 -179.631 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 . . . . . 0 C--N 1.331 -0.222 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.073 179.802 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.444 ' HD3' ' CZ2' ' A' ' 22' ' ' TRP . 4.0 mttt . . . . . 0 C--O 1.231 0.087 0 CA-C-O 121.017 0.437 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -164.64 98.18 0.78 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.958 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.539 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 3.9 m95 -94.27 138.74 31.92 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.373 -179.002 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.5 152.32 27.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.492 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.28 124.61 21.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.943 0.402 . . . . 0.0 110.944 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -124.92 -177.02 3.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.689 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.5 ' CZ ' ' CD2' ' A' ' 44' ' ' TYR . 50.0 t80 -138.22 114.99 10.67 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.301 -179.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 1.094 HG21 HD22 ' A' ' 10' ' ' LEU . 1.9 t -121.73 146.81 26.24 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.319 0 CA-C-O 121.038 0.447 . . . . 0.0 111.908 -179.382 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.791 HG23 ' HB3' ' A' ' 7' ' ' GLN . 90.5 m -138.75 111.03 7.4 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.883 177.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.748 ' CD2' HD13 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -89.34 117.45 28.3 Favored 'General case' 0 N--CA 1.445 -0.698 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 177.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.1 t -106.35 162.01 14.06 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.011 0.434 . . . . 0.0 111.303 -178.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.6 t -76.66 2.52 13.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.248 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 35.1 t-20 -91.06 26.04 2.27 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-O 120.826 0.346 . . . . 0.0 111.209 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.404 ' C ' HD12 ' A' ' 55' ' ' LEU . . . 52.42 41.85 56.1 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.476 -0.869 . . . . 0.0 111.633 -179.539 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.582 ' N ' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -139.18 123.62 18.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.02 0.438 . . . . 0.0 111.479 -179.352 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.986 HD23 HG21 ' A' ' 94' ' ' ILE . 2.7 tp -100.67 116.96 33.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.649 179.073 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.535 HD23 ' HB3' ' A' ' 52' ' ' GLU . 0.3 OUTLIER -113.35 146.45 39.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.969 0.414 . . . . 0.0 111.546 -179.15 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.448 ' HB2' HG22 ' A' ' 27' ' ' VAL . 0.1 OUTLIER -157.15 132.84 9.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.468 179.2 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.501 ' CD2' ' HA2' ' A' ' 50' ' ' GLY . 0.1 OUTLIER -120.95 160.77 43.5 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.824 -179.464 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_exo -51.01 -35.89 52.06 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.669 2.246 . . . . 0.0 112.353 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.9 t -163.76 -176.16 4.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.816 HG22 HD12 ' A' ' 45' ' ' ILE . 3.3 mp -63.26 -43.77 98.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.869 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.495 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 47.7 m-80 -51.83 -28.78 16.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.341 0.591 . . . . 0.0 110.136 179.232 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.443 ' HB2' ' CB ' ' A' ' 38' ' ' HIS . 1.3 m-20 -76.98 -37.79 54.45 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.638 179.533 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.5 ' CD2' ' CZ ' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -71.42 -51.32 24.59 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.25 0.548 . . . . 0.0 110.233 179.552 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.816 HD12 HG22 ' A' ' 41' ' ' ILE . 19.8 mt -59.9 -61.93 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.311 -0.858 . . . . 0.0 111.186 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.495 ' CD2' ' O ' ' A' ' 42' ' ' ASN . 13.1 m-70 -73.49 -24.47 60.19 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.766 -1.106 . . . . 0.0 112.212 -178.529 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' A' ' 43' ' ' ASP . 2.7 t 77.8 74.02 0.06 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.868 0.366 . . . . 0.0 111.271 179.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.442 ' O ' ' HB2' ' A' ' 49' ' ' HIS . 27.3 p -120.87 124.44 45.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.624 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.442 ' HB2' ' O ' ' A' ' 48' ' ' THR . 1.3 m-70 71.11 -60.16 0.52 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.405 -179.432 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.501 ' HA2' ' CD2' ' A' ' 38' ' ' HIS . . . 44.9 89.42 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.256 0 CA-C-N 115.571 -0.741 . . . . 0.0 113.272 179.484 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.412 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -83.87 131.37 34.88 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.689 0.281 . . . . 0.0 110.681 179.623 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.535 ' HB3' HD23 ' A' ' 36' ' ' LEU . 0.4 OUTLIER -132.11 133.28 44.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.152 0.501 . . . . 0.0 110.947 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.549 ' CE ' ' CG ' ' A' ' 102' ' ' TRP . 0.5 OUTLIER -118.91 120.1 36.28 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.345 -179.75 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.409 ' O ' HG23 ' A' ' 58' ' ' THR . 26.3 t0 -56.57 130.96 47.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.605 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.833 HD13 ' CB ' ' A' ' 122' ' ' GLN . 43.2 mt -95.09 24.18 5.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.42 -179.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.424 HD12 ' HB3' ' A' ' 126' ' ' SER . 26.3 tp -83.02 -57.37 3.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.758 0.313 . . . . 0.0 110.751 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 65.5 mtm180 -119.38 55.54 0.95 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.387 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.575 HG22 ' O ' ' A' ' 95' ' ' VAL . 0.6 OUTLIER -106.18 162.12 13.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.095 -179.858 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -131.98 168.86 17.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.761 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.713 HG11 HG13 ' A' ' 116' ' ' VAL . 21.6 t . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.812 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.468 ' CD2' ' HA ' ' A' ' 109' ' ' PHE . 3.7 m-30 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.931 0.396 . . . . 0.0 111.137 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.437 ' HB3' ' HE1' ' A' ' 103' ' ' HIS . 12.5 mp0 -151.1 129.95 12.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.401 179.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.603 ' CE1' HD11 ' A' ' 94' ' ' ILE . 25.9 p90 -124.9 153.7 42.24 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.812 0.339 . . . . 0.0 111.238 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -118.76 143.45 46.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.161 -179.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.986 HG21 HD23 ' A' ' 35' ' ' LEU . 11.1 mm -114.35 108.68 26.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.461 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.575 ' O ' HG22 ' A' ' 58' ' ' THR . 90.1 t -101.53 133.87 43.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.94 0.4 . . . . 0.0 111.611 -179.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.447 ' HA ' HG22 ' A' ' 58' ' ' THR . 0.1 OUTLIER -100.21 -173.94 2.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.249 179.239 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.53 -4.94 59.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.588 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 12.0 t -108.98 22.73 15.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.883 0.373 . . . . 0.0 111.266 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 80.64 -18.18 9.37 Favored Glycine 0 CA--C 1.521 0.455 0 C-N-CA 120.696 -0.764 . . . . 0.0 113.466 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.35 132.19 52.32 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 117.126 0.463 . . . . 0.0 110.702 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.45 HG23 HG22 ' A' ' 95' ' ' VAL . 18.1 m -130.41 114.91 16.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.491 -179.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.672 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 36.1 m0 -93.66 105.66 17.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.171 179.083 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.539 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.8 OUTLIER -94.82 116.54 28.86 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.746 179.544 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.825 ' CB ' HD23 ' A' ' 10' ' ' LEU . 19.7 m-85 -124.83 160.7 28.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.36 0.6 . . . . 0.0 112.006 -179.613 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.674 ' OE1' HD22 ' A' ' 11' ' ' LEU . 7.2 tm-20 -127.68 107.39 9.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.063 -0.971 . . . . 0.0 109.668 178.689 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.504 ' HB3' ' HB2' ' A' ' 112' ' ' ARG . . . -55.39 128.93 36.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.561 -179.168 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.63 -31.83 72.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.657 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.0 m -117.99 155.46 30.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.583 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.468 ' HA ' ' CD2' ' A' ' 90' ' ' PHE . 3.9 m-85 -65.99 -45.98 79.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.061 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.35 -32.83 74.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.893 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.42 -34.71 78.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.208 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.612 ' O ' HG23 ' A' ' 116' ' ' VAL . 0.0 OUTLIER -56.71 -49.36 75.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.02 -179.725 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -68.04 -42.39 80.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.857 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 118' ' ' ALA . . . -55.12 -53.37 56.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.419 179.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.728 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 55.6 m95 -57.87 -53.39 58.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.863 179.015 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.713 HG13 HG11 ' A' ' 60' ' ' VAL . 86.5 t -55.84 -33.54 34.93 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 CA-C-O 120.937 0.398 . . . . 0.0 110.104 179.443 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -80.03 -29.56 39.34 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.26 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.438 ' HB2' HG22 ' A' ' 5' ' ' ILE . . . -68.74 -47.22 66.87 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.038 0.447 . . . . 0.0 110.447 179.605 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.698 HG13 HD21 ' A' ' 29' ' ' LEU . 3.3 mp -66.01 -46.45 88.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.115 179.421 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.616 ' HG2' HG21 ' A' ' 60' ' ' VAL . 3.8 mm-40 -66.42 -32.88 74.53 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.185 179.132 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 28.8 t -68.44 -46.04 70.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.557 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.833 ' CB ' HD13 ' A' ' 55' ' ' LEU . 2.3 mp0 -62.83 -33.91 76.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.302 179.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.451 ' HA ' ' O ' ' A' ' 55' ' ' LEU . 25.5 mt -74.26 -35.21 39.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.663 179.556 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 26.6 tp -68.76 -36.98 79.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.666 179.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.35 -31.44 58.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.021 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.424 ' HB3' HD12 ' A' ' 56' ' ' LEU . 37.6 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.2 mp . . . . . 0 N--CA 1.455 -0.195 0 CA-C-O 120.606 0.241 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -55.77 124.26 15.84 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.366 2.044 . . . . 0.0 112.473 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.635 ' O ' ' HD2' ' A' ' 6' ' ' LYS . 17.1 mm -82.79 -36.35 13.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.149 -0.932 . . . . 0.0 109.727 179.213 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.749 ' HD3' ' HB2' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -174.1 111.55 0.17 Allowed 'General case' 0 CA--C 1.507 -0.708 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.986 177.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.818 ' HB2' HG23 ' A' ' 28' ' ' THR . 0.2 OUTLIER -121.34 108.09 13.29 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.665 178.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -156.0 -175.0 5.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.12 -179.42 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.742 ' O ' HD12 ' A' ' 10' ' ' LEU . 3.1 m-85 -84.71 144.89 28.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.273 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 1.015 HD22 HG21 ' A' ' 27' ' ' VAL . 10.9 mp -135.48 160.94 36.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.259 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.496 HD23 ' HB2' ' A' ' 22' ' ' TRP . 1.1 tp -97.61 142.05 29.9 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 179.068 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.448 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.0 OUTLIER -129.39 109.23 10.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.819 0.343 . . . . 0.0 111.155 -179.622 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.434 ' HB3' ' CE2' ' A' ' 22' ' ' TRP . 8.8 ptt180 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.6 mttt . . . . . 0 N--CA 1.456 -0.153 0 CA-C-O 121.075 0.464 . . . . 0.0 111.374 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -167.89 99.32 0.46 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.843 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.564 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 3.7 m95 -94.44 143.63 26.25 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.488 -178.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -118.51 157.19 27.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.507 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -63.21 127.85 33.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.096 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.446 ' HG3' ' HB2' ' A' ' 12' ' ' LYS . 19.4 mmtt -129.34 -176.27 3.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.691 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.508 ' O ' ' HA ' ' A' ' 37' ' ' TYR . 39.4 t80 -139.69 114.94 9.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.534 -179.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 1.015 HG21 HD22 ' A' ' 10' ' ' LEU . 2.0 t -120.19 148.85 23.06 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.267 0 CA-C-O 121.012 0.434 . . . . 0.0 111.784 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.818 HG23 ' HB2' ' A' ' 7' ' ' GLN . 85.4 m -138.65 110.66 7.27 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.867 178.467 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.757 HD23 ' CZ3' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -88.83 114.01 24.99 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 178.258 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.5 p -101.61 154.83 18.51 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.148 0.499 . . . . 0.0 111.729 -178.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.8 t -74.96 -1.18 21.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.066 179.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -91.08 26.1 2.26 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-O 120.772 0.32 . . . . 0.0 111.019 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.4 ' HA2' ' HB3' ' A' ' 122' ' ' GLN . . . 55.32 43.26 84.55 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.567 -0.825 . . . . 0.0 111.555 -179.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.503 ' N ' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -139.31 123.99 18.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.03 0.443 . . . . 0.0 111.654 -179.395 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.823 HD23 HG21 ' A' ' 94' ' ' ILE . 1.1 tp -106.87 117.02 32.94 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.438 178.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.561 HD12 ' O ' ' A' ' 28' ' ' THR . 0.2 OUTLIER -115.48 142.6 46.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.007 0.432 . . . . 0.0 111.664 -179.106 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.508 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.5 OUTLIER -145.45 125.63 13.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.51 179.161 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.521 ' HB3' ' CB ' ' A' ' 43' ' ' ASP . 1.2 m80 -113.47 159.97 33.34 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.67 -179.468 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_exo -47.19 -49.88 12.08 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.627 2.218 . . . . 0.0 112.57 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.7 t -156.35 -173.03 4.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.132 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.678 HG22 HD12 ' A' ' 45' ' ' ILE . 3.4 mp -60.98 -43.25 95.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.518 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 21.9 m-80 -51.93 -26.94 11.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.286 0.565 . . . . 0.0 110.088 179.231 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.759 ' HA ' HG23 ' A' ' 48' ' ' THR . 5.1 m-20 -76.98 -41.01 44.74 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.756 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -70.94 -51.31 26.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.271 0.558 . . . . 0.0 109.956 179.406 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.678 HD12 HG22 ' A' ' 41' ' ' ILE . 23.9 mt -56.37 -61.8 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.979 179.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.518 ' CD2' ' O ' ' A' ' 42' ' ' ASN . 15.5 m-70 -73.64 -24.99 60.09 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.942 -1.026 . . . . 0.0 111.831 -178.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 m 75.72 73.35 0.09 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.893 0.377 . . . . 0.0 112.008 178.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.759 HG23 ' HA ' ' A' ' 43' ' ' ASP . 30.8 p -89.34 -154.22 0.3 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.049 178.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 12.7 t-160 -39.18 -56.73 1.44 Allowed 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.918 0.39 . . . . 0.0 111.45 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.469 ' HA2' ' CD2' ' A' ' 38' ' ' HIS . . . 57.39 99.13 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.719 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.446 ' HB3' ' CD1' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -79.2 137.79 37.57 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.781 0.324 . . . . 0.0 111.108 -179.888 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.42 ' HB2' ' CE1' ' A' ' 34' ' ' PHE . 1.1 pt-20 -130.56 133.05 45.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.487 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.529 ' CE ' ' CG ' ' A' ' 102' ' ' TRP . 0.7 OUTLIER -118.36 122.49 42.98 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.591 -179.619 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.66 131.95 52.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.416 179.65 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.668 HD13 ' CB ' ' A' ' 122' ' ' GLN . 14.4 mt -95.07 23.86 5.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.347 -179.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.15 -56.31 3.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.781 0.324 . . . . 0.0 110.82 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -121.0 53.54 1.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.992 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.577 HG22 ' O ' ' A' ' 95' ' ' VAL . 0.3 OUTLIER -106.93 161.96 14.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 179.911 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.97 165.44 23.14 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.826 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.645 HG21 ' HG3' ' A' ' 120' ' ' GLU . 6.9 m . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.593 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.509 ' CE1' ' CD2' ' A' ' 109' ' ' PHE . 4.6 m-85 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 121.011 0.434 . . . . 0.0 111.23 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.41 ' HB3' ' HE1' ' A' ' 103' ' ' HIS . 26.0 mt-10 -146.63 132.78 19.35 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.458 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.633 ' CE1' HD11 ' A' ' 94' ' ' ILE . 18.9 p90 -128.47 148.79 50.75 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.89 0.376 . . . . 0.0 111.608 -179.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.453 HD23 ' HB2' ' A' ' 103' ' ' HIS . 3.6 mt -110.74 142.84 42.14 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.978 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.823 HG21 HD23 ' A' ' 35' ' ' LEU . 10.3 mm -115.33 108.49 25.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.254 179.419 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.577 ' O ' HG22 ' A' ' 58' ' ' THR . 99.6 t -98.56 128.51 50.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.993 0.425 . . . . 0.0 111.655 -179.359 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.501 ' HA ' HG22 ' A' ' 58' ' ' THR . 0.2 OUTLIER -91.47 -174.08 3.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.285 179.333 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 25.8 t -83.63 -20.2 34.09 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.2 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.5 t -100.21 24.11 9.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.857 0.361 . . . . 0.0 111.044 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 83.79 -20.53 11.83 Favored Glycine 0 CA--C 1.52 0.385 0 C-N-CA 120.657 -0.782 . . . . 0.0 113.292 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -48.51 124.99 8.97 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 117.1 0.45 . . . . 0.0 110.756 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.449 ' HA ' ' O ' ' A' ' 94' ' ' ILE . 10.9 m -125.08 114.83 19.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.044 0.45 . . . . 0.0 111.833 -179.304 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.641 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 35.7 m0 -96.74 109.08 21.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.385 178.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.564 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.8 OUTLIER -99.11 116.5 31.48 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.731 179.341 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.844 ' CB ' HD23 ' A' ' 10' ' ' LEU . 15.3 m-85 -125.47 160.17 30.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.361 0.6 . . . . 0.0 112.044 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.479 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 0.1 OUTLIER -127.68 105.79 8.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.56 178.655 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.662 ' HB3' ' HB2' ' A' ' 112' ' ' ARG . . . -52.75 127.94 24.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.67 -179.176 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.65 -27.55 62.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.748 179.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.57 159.12 24.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.537 179.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.509 ' CD2' ' CE1' ' A' ' 90' ' ' PHE . 2.5 m-30 -65.8 -55.66 15.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.051 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -64.43 -32.54 74.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.057 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.628 ' HB3' ' HB1' ' A' ' 106' ' ' ALA . 3.3 tt0 -56.51 -42.6 78.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.321 -179.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.81 ' O ' HG23 ' A' ' 116' ' ' VAL . 2.1 ttp85 -56.85 -49.73 74.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.777 0.322 . . . . 0.0 111.097 -179.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -62.66 -40.79 98.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.454 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.698 ' HB1' ' HE2' ' A' ' 6' ' ' LYS . . . -59.41 -53.4 58.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.201 179.215 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.757 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 45.4 m95 -56.5 -50.57 71.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.625 178.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 112' ' ' ARG . 60.5 t -57.06 -35.4 47.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.798 179.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.31 -33.89 49.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.578 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.749 ' HB2' ' HD3' ' A' ' 6' ' ' LYS . . . -67.42 -44.74 78.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.973 0.416 . . . . 0.0 110.29 179.393 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.666 HG13 HD21 ' A' ' 29' ' ' LEU . 1.6 mp -62.85 -50.93 77.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.736 178.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.91 ' HA ' HD12 ' A' ' 123' ' ' ILE . 1.2 mt-10 -65.33 -32.72 74.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.049 179.077 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 28.2 t -67.65 -44.06 78.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.505 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.668 ' CB ' HD13 ' A' ' 55' ' ' LEU . 66.7 mm-40 -64.19 -31.93 73.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.428 179.562 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.91 HD12 ' HA ' ' A' ' 120' ' ' GLU . 21.5 mt -68.98 -44.42 81.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.099 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.9 tt -64.72 -36.5 84.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.617 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.33 -31.16 57.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.95 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 4.5 m . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.968 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.4 ' O ' ' HB2' ' A' ' 31' ' ' SER . 10.6 mt . . . . . 0 N--CA 1.455 -0.175 0 CA-C-O 120.557 0.217 . . . . 0.0 110.821 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -58.75 127.72 25.49 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.302 2.001 . . . . 0.0 112.283 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.468 ' HB ' ' HB3' ' A' ' 29' ' ' LEU . 18.4 mm -93.27 -19.72 6.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.275 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.612 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 0.0 OUTLIER 175.87 110.52 0.02 OUTLIER 'General case' 0 C--O 1.216 -0.705 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.122 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.734 ' HB3' HG23 ' A' ' 28' ' ' THR . 15.5 pt20 -131.31 114.64 15.26 Favored 'General case' 0 C--N 1.312 -1.039 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.577 179.55 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.25 -175.15 1.88 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.313 -179.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.548 ' CE1' HD11 ' A' ' 41' ' ' ILE . 3.8 m-85 -81.85 131.82 35.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.235 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.792 HD23 ' HB3' ' A' ' 104' ' ' PHE . 4.5 mp -125.27 153.66 42.88 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.341 179.585 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.492 ' CD2' ' HB2' ' A' ' 22' ' ' TRP . 1.5 tp -90.52 132.1 35.88 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.21 179.365 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.418 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.1 OUTLIER -118.48 110.41 17.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.127 -179.391 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.455 ' HB3' ' CE2' ' A' ' 22' ' ' TRP . 3.2 ptt180 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.953 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.462 ' HD3' ' CZ2' ' A' ' 22' ' ' TRP . 18.5 mttt . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 121.145 0.497 . . . . 0.0 111.23 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -163.55 98.3 0.89 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.772 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.523 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 3.2 m95 -94.08 128.12 40.29 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.31 -178.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.88 160.12 15.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.302 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.0 mmtm -63.01 122.59 16.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.956 0.408 . . . . 0.0 110.734 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.3 tptt -122.21 179.78 4.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.713 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.52 ' CE1' ' CG ' ' A' ' 44' ' ' TYR . 46.7 t80 -139.27 115.1 10.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.245 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.636 HG23 ' HB2' ' A' ' 10' ' ' LEU . 2.0 t -122.7 147.53 26.85 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.316 0 CA-C-O 120.973 0.416 . . . . 0.0 111.808 -179.18 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.734 HG23 ' HB3' ' A' ' 7' ' ' GLN . 91.5 m -138.81 110.52 7.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.032 177.695 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.749 HD21 HG13 ' A' ' 119' ' ' ILE . 0.2 OUTLIER -89.44 115.57 26.98 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 177.822 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 29.0 t -105.47 160.77 14.89 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.028 0.442 . . . . 0.0 111.383 -178.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.4 ' HB2' ' O ' ' A' ' 3' ' ' ILE . 4.4 t -76.19 2.24 13.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.278 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -89.84 26.12 1.89 Allowed 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.748 0.308 . . . . 0.0 111.357 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 53.61 39.88 61.67 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.659 -0.782 . . . . 0.0 111.699 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.51 ' N ' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -138.94 127.73 23.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.09 0.471 . . . . 0.0 111.359 -179.423 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.925 HD23 HG21 ' A' ' 94' ' ' ILE . 1.6 tp -105.46 116.96 32.83 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.519 179.042 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.71 HD23 ' CG ' ' A' ' 52' ' ' GLU . 0.5 OUTLIER -112.83 147.66 36.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.048 0.451 . . . . 0.0 111.569 -179.002 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.466 ' CE1' ' CB ' ' A' ' 51' ' ' LYS . 0.3 OUTLIER -156.07 129.87 8.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.484 179.251 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.503 ' CD2' ' HA2' ' A' ' 50' ' ' GLY . 0.1 OUTLIER -120.03 158.39 50.43 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.737 -179.478 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -48.5 -42.02 35.76 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.715 2.276 . . . . 0.0 112.478 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 25.0 t -155.84 -172.43 4.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.811 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.801 HG22 HD12 ' A' ' 45' ' ' ILE . 3.2 mp -66.68 -43.25 90.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.799 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.497 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 43.6 m-80 -52.04 -28.34 16.9 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.289 0.566 . . . . 0.0 110.116 179.12 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.425 ' HB2' ' CB ' ' A' ' 38' ' ' HIS . 1.3 m-20 -76.9 -39.09 52.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.776 179.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.52 ' CG ' ' CE1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -70.49 -51.23 30.5 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.205 0.526 . . . . 0.0 110.177 179.511 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.801 HD12 HG22 ' A' ' 41' ' ' ILE . 21.5 mt -59.57 -62.17 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.195 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.497 ' CD2' ' O ' ' A' ' 42' ' ' ASN . 13.8 m-70 -73.53 -24.59 60.16 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.798 -1.092 . . . . 0.0 112.231 -178.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.409 ' HA ' ' O ' ' A' ' 43' ' ' ASP . 1.8 m 77.72 74.21 0.06 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.896 0.379 . . . . 0.0 111.316 179.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 34.7 p -118.95 119.68 35.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 71.78 -59.84 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.541 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.503 ' HA2' ' CD2' ' A' ' 38' ' ' HIS . . . 45.29 90.06 0.01 OUTLIER Glycine 0 N--CA 1.453 -0.189 0 CA-C-N 115.466 -0.788 . . . . 0.0 113.219 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.466 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -80.54 130.29 35.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.735 0.302 . . . . 0.0 110.608 179.615 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.71 ' CG ' HD23 ' A' ' 36' ' ' LEU . 2.6 mt-10 -125.34 147.5 49.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.084 0.468 . . . . 0.0 110.953 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.697 ' HE2' ' CE2' ' A' ' 102' ' ' TRP . 0.6 OUTLIER -130.87 116.07 17.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.754 -179.741 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.4 p-10 -56.77 125.62 23.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.395 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.648 HD13 ' CB ' ' A' ' 122' ' ' GLN . 80.9 mt -93.74 33.05 1.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.533 -179.403 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.31 -53.69 5.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.834 0.35 . . . . 0.0 110.761 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.78 54.46 1.93 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.691 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.572 HG22 ' O ' ' A' ' 95' ' ' VAL . 0.2 OUTLIER -99.74 162.01 13.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.789 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.401 HG22 ' H ' ' A' ' 60' ' ' VAL . 0.2 OUTLIER -126.96 173.81 9.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.993 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.773 HG11 HG13 ' A' ' 116' ' ' VAL . 22.1 t . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.649 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.498 ' CZ ' ' CD2' ' A' ' 109' ' ' PHE . 4.2 m-85 . . . . . 0 CA--C 1.527 0.072 0 CA-C-O 120.898 0.38 . . . . 0.0 111.31 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.407 ' HB3' ' HE1' ' A' ' 103' ' ' HIS . 15.9 mp0 -151.05 139.25 20.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.253 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.646 ' CE2' HD11 ' A' ' 94' ' ' ILE . 3.3 p90 -133.38 145.63 50.51 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.96 0.409 . . . . 0.0 111.323 -179.551 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.437 ' O ' ' HA ' ' A' ' 60' ' ' VAL . 0.8 OUTLIER -109.11 139.67 43.7 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.072 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.925 HG21 HD23 ' A' ' 35' ' ' LEU . 12.2 mm -110.31 108.46 25.48 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.09 179.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.572 ' O ' HG22 ' A' ' 58' ' ' THR . 87.3 t -103.38 134.66 43.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.219 0.533 . . . . 0.0 112.169 -179.078 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.55 ' OG ' HG22 ' A' ' 98' ' ' THR . 0.1 OUTLIER -102.38 179.27 4.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.45 -0.796 . . . . 0.0 109.871 178.825 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.41 ' N ' ' OG ' ' A' ' 96' ' ' SER . 0.0 OUTLIER -80.74 -6.45 58.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.68 -0.236 . . . . 0.0 111.513 -179.808 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.55 HG22 ' OG ' ' A' ' 96' ' ' SER . 11.3 t -108.22 22.26 16.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.991 0.424 . . . . 0.0 111.212 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 82.69 -21.21 7.83 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 120.732 -0.747 . . . . 0.0 113.272 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -52.05 123.39 10.37 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.954 0.377 . . . . 0.0 110.721 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.567 HG23 HG22 ' A' ' 95' ' ' VAL . 8.8 m -127.83 114.68 17.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.973 0.416 . . . . 0.0 111.597 -179.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.697 ' CE2' ' HE2' ' A' ' 53' ' ' MET . 35.7 m0 -97.71 108.02 20.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.31 178.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.523 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.8 OUTLIER -97.78 116.3 29.72 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.718 179.357 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.792 ' HB3' HD23 ' A' ' 10' ' ' LEU . 19.0 m-85 -123.27 166.93 14.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.307 0.575 . . . . 0.0 111.638 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.425 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 0.4 OUTLIER -132.23 106.18 7.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.953 179.087 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.655 ' HB3' ' HB2' ' A' ' 112' ' ' ARG . . . -52.39 127.94 23.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.649 -179.277 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.31 -27.47 67.35 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.739 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.21 158.58 29.11 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.678 179.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.498 ' CD2' ' CZ ' ' A' ' 90' ' ' PHE . 2.7 m-85 -66.16 -43.27 87.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.038 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -73.48 -32.82 64.51 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.009 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -61.05 -39.26 89.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.183 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.713 ' NH1' HG21 ' A' ' 116' ' ' VAL . 1.7 ttt-85 -56.76 -49.47 75.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.133 -179.712 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.26 -47.3 84.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.962 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -53.28 -52.39 59.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.742 0.306 . . . . 0.0 110.573 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.705 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 52.3 m95 -56.6 -52.29 65.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.973 179.088 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.773 HG13 HG11 ' A' ' 60' ' ' VAL . 66.7 t -55.35 -36.53 40.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.928 0.394 . . . . 0.0 110.302 179.51 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -78.79 -29.41 44.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.517 179.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.412 ' CB ' HG22 ' A' ' 5' ' ' ILE . . . -67.21 -48.42 67.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.169 0.509 . . . . 0.0 110.393 179.469 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.749 HG13 HD21 ' A' ' 29' ' ' LEU . 3.1 mp -63.79 -49.84 80.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.113 179.232 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.462 ' HA ' HD12 ' A' ' 123' ' ' ILE . 37.6 mt-10 -64.04 -32.7 74.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.943 0.401 . . . . 0.0 110.207 179.236 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.8 m -64.93 -44.42 89.53 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.774 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.648 ' CB ' HD13 ' A' ' 55' ' ' LEU . 0.8 OUTLIER -68.33 -33.07 73.64 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.678 179.872 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.462 HD12 ' HA ' ' A' ' 120' ' ' GLU . 20.2 mt -74.18 -36.51 43.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.785 179.509 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.75 -35.04 76.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.657 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.4 -33.6 58.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.95 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.991 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.414 ' CG2' ' HD2' ' A' ' 4' ' ' PRO . 15.0 mt . . . . . 0 N--CA 1.457 -0.121 0 CA-C-O 120.498 0.189 . . . . 0.0 110.813 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.414 ' HD2' ' CG2' ' A' ' 3' ' ' ILE . 36.2 Cg_endo -65.91 127.08 17.03 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.348 2.032 . . . . 0.0 112.332 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.531 ' N ' ' O ' ' A' ' 29' ' ' LEU . 29.1 mm -90.06 -20.55 6.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.183 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.618 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 0.0 OUTLIER 178.98 110.54 0.03 OUTLIER 'General case' 0 C--O 1.216 -0.677 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.04 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.893 ' HB3' HG23 ' A' ' 28' ' ' THR . 10.7 pt20 -131.17 111.67 12.16 Favored 'General case' 0 C--N 1.312 -1.043 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.705 179.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.3 m -168.48 -175.1 2.4 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.526 ' CD1' HD11 ' A' ' 41' ' ' ILE . 1.5 m-85 -79.34 132.21 36.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.064 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.874 HD23 ' HB3' ' A' ' 104' ' ' PHE . 4.5 mp -126.6 146.88 49.99 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.598 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.451 ' CD2' ' HB2' ' A' ' 22' ' ' TRP . 1.1 mp -81.9 135.81 35.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.15 179.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.41 ' CB ' ' HD3' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -129.24 114.81 16.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.945 0.403 . . . . 0.0 111.234 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.448 ' CB ' ' HD2' ' A' ' 20' ' ' LYS . 11.6 ptt180 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.183 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.448 ' HD2' ' CB ' ' A' ' 13' ' ' ARG . 6.9 mmtt . . . . . 0 C--O 1.23 0.079 0 CA-C-O 121.036 0.446 . . . . 0.0 111.491 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -164.32 98.01 0.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.196 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.563 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 3.2 m95 -98.5 126.95 44.24 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.218 -179.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.6 152.56 18.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.588 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.01 111.93 2.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.748 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.41 ' HD3' ' CB ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -110.77 -174.06 2.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.776 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.503 ' CE1' ' CG ' ' A' ' 44' ' ' TYR . 50.8 t80 -141.27 117.16 10.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.515 -179.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.745 ' CG1' HD11 ' A' ' 35' ' ' LEU . 2.0 t -124.88 147.92 29.4 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.31 0 CA-C-O 120.961 0.41 . . . . 0.0 111.751 -179.491 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.893 HG23 ' HB3' ' A' ' 7' ' ' GLN . 87.4 m -138.83 110.98 7.33 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.863 177.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.755 HD22 HD13 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -88.98 115.88 26.86 Favored 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 178.19 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.9 t -104.05 162.58 13.04 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.917 0.389 . . . . 0.0 111.402 -178.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.6 t -80.51 4.36 18.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.18 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -91.63 26.25 2.4 Favored 'General case' 0 CA--C 1.522 -0.112 0 CA-C-O 120.805 0.336 . . . . 0.0 111.283 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 54.63 37.25 60.63 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.51 -0.853 . . . . 0.0 111.545 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.434 ' CE2' ' HB2' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -139.46 133.86 31.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.994 0.426 . . . . 0.0 111.373 -179.536 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.842 HD23 HG21 ' A' ' 94' ' ' ILE . 1.3 tp -113.98 117.0 30.11 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.856 179.053 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.655 ' N ' HD12 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -112.96 151.34 30.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.058 -179.578 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.476 ' HB3' HG13 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -158.7 136.32 10.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.716 179.549 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.506 ' CD2' ' HA2' ' A' ' 50' ' ' GLY . 0.2 OUTLIER -118.58 160.27 40.73 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.852 -179.684 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.07 -34.95 70.36 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.584 2.19 . . . . 0.0 112.299 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.23 179.58 8.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.676 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.808 HG22 HD12 ' A' ' 45' ' ' ILE . 3.3 mp -61.7 -43.98 98.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.868 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.507 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 9.5 m-20 -51.88 -28.6 16.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.4 0.619 . . . . 0.0 110.127 179.185 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.462 ' CB ' ' HB3' ' A' ' 38' ' ' HIS . 1.4 m-20 -76.96 -39.38 50.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.748 179.534 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.503 ' CG ' ' CE1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -70.57 -51.28 29.48 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.268 0.556 . . . . 0.0 110.199 179.528 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.808 HD12 HG22 ' A' ' 41' ' ' ILE . 22.2 mt -58.75 -61.8 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.132 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.507 ' CD2' ' O ' ' A' ' 42' ' ' ASN . 14.0 m-70 -73.52 -24.52 60.16 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.797 -1.092 . . . . 0.0 112.075 -178.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.402 ' CB ' ' O ' ' A' ' 46' ' ' HIS . 4.2 t 78.61 74.95 0.05 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.881 0.372 . . . . 0.0 111.557 179.29 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 41.7 p -121.18 116.01 24.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 179.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.443 ' CE1' ' HE3' ' A' ' 51' ' ' LYS . 0.7 OUTLIER 75.8 -61.24 0.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.412 -179.644 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.506 ' HA2' ' CD2' ' A' ' 38' ' ' HIS . . . 43.24 88.39 0.01 OUTLIER Glycine 0 N--CA 1.453 -0.208 0 CA-C-N 115.409 -0.814 . . . . 0.0 113.298 179.46 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.445 ' HB2' ' CD1' ' A' ' 37' ' ' TYR . 0.4 OUTLIER -74.6 159.06 32.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.754 0.311 . . . . 0.0 110.519 179.561 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.469 ' HA ' ' O ' ' A' ' 35' ' ' LEU . 4.0 pt-20 -161.75 154.02 19.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.984 0.421 . . . . 0.0 110.893 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.684 ' HE3' ' CE2' ' A' ' 102' ' ' TRP . 7.2 ptp -142.66 152.9 42.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.247 -179.587 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.53 ' O ' HG23 ' A' ' 58' ' ' THR . 0.7 OUTLIER -81.17 124.22 29.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.815 178.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.79 HD13 ' CB ' ' A' ' 122' ' ' GLN . 8.6 mt -90.15 22.41 3.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.687 -179.345 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.6 tt -83.19 -40.86 19.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.722 0.296 . . . . 0.0 110.916 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 30.1 mtp85 -130.83 43.95 3.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.035 0.445 . . . . 0.0 110.955 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.624 HG22 ' O ' ' A' ' 95' ' ' VAL . 0.6 OUTLIER -92.15 161.9 14.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.985 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.41 165.28 24.64 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.456 179.541 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 93' ' ' LEU . 2.7 m . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.735 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.567 ' N ' ' CD1' ' A' ' 90' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.935 0.398 . . . . 0.0 111.031 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -143.49 129.99 20.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.364 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.663 ' CE1' HD11 ' A' ' 94' ' ' ILE . 13.5 p90 -125.34 147.04 49.3 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.994 0.426 . . . . 0.0 111.319 -179.553 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.407 ' O ' ' HA ' ' A' ' 60' ' ' VAL . 5.6 mt -107.11 140.26 40.22 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.654 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.842 HG21 HD23 ' A' ' 35' ' ' LEU . 11.4 mm -116.69 112.29 38.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.869 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.624 ' O ' HG22 ' A' ' 58' ' ' THR . 62.0 t -102.77 127.65 56.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.853 0.359 . . . . 0.0 111.421 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.608 ' HA ' HG22 ' A' ' 58' ' ' THR . 36.9 t -89.7 -175.29 4.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.472 179.421 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.8 t -82.0 -12.98 58.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.372 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.1 t -102.89 24.51 10.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.852 0.358 . . . . 0.0 111.155 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 77.73 -8.47 35.41 Favored Glycine 0 CA--C 1.521 0.426 0 C-N-CA 120.764 -0.731 . . . . 0.0 113.46 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.79 141.51 55.14 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 117.267 0.534 . . . . 0.0 110.529 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.429 HG23 HG22 ' A' ' 95' ' ' VAL . 4.3 m -134.93 114.88 12.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.95 0.405 . . . . 0.0 111.665 -179.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.684 ' CE2' ' HE3' ' A' ' 53' ' ' MET . 33.7 m0 -101.21 105.68 16.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.572 179.233 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.563 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.8 OUTLIER -91.26 116.34 28.75 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.556 -0.457 . . . . 0.0 110.275 179.136 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.874 ' HB3' HD23 ' A' ' 10' ' ' LEU . 21.8 m-85 -123.01 161.19 24.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.395 0.617 . . . . 0.0 112.003 -179.537 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.464 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 34.1 tt0 -131.8 104.27 6.79 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.21 -0.905 . . . . 0.0 109.66 178.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.625 ' HB2' ' HA ' ' A' ' 112' ' ' ARG . . . -49.35 126.02 12.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.866 -179.09 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.96 -31.38 72.47 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.315 179.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -119.29 146.65 45.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.445 179.425 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.557 ' CE1' ' CD1' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -61.01 -34.38 74.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.319 -179.564 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -73.72 -32.66 64.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.929 0.395 . . . . 0.0 110.841 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -71.3 -34.35 70.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.385 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.625 ' HA ' ' HB2' ' A' ' 106' ' ' ALA . 0.0 OUTLIER -56.8 -42.38 79.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.723 0.297 . . . . 0.0 110.957 -179.636 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -74.65 -46.53 37.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.583 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 118' ' ' ALA . . . -52.71 -52.79 54.63 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.29 179.432 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.698 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 52.8 m95 -56.76 -55.48 33.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.853 179.008 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 112' ' ' ARG . 75.6 t -54.06 -34.81 27.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 CA-C-O 121.072 0.463 . . . . 0.0 110.056 179.422 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.501 ' HA ' ' HG2' ' A' ' 120' ' ' GLU . 10.1 mt-30 -79.09 -27.8 42.98 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.26 178.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.45 ' HB2' HG22 ' A' ' 5' ' ' ILE . . . -71.57 -42.81 67.34 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.448 179.508 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.666 HG13 HD21 ' A' ' 29' ' ' LEU . 2.7 mp -67.01 -49.31 74.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.256 179.5 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.892 ' HA ' HD12 ' A' ' 123' ' ' ILE . 12.6 pt-20 -66.16 -32.68 74.26 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.904 0.383 . . . . 0.0 110.17 179.139 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 9.8 t -64.2 -41.48 97.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.309 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.79 ' CB ' HD13 ' A' ' 55' ' ' LEU . 57.6 mm-40 -67.85 -34.23 76.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.393 179.552 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.892 HD12 ' HA ' ' A' ' 120' ' ' GLU . 12.3 mt -70.46 -37.67 71.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.967 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 10.0 tp -68.56 -39.33 81.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.3 -29.16 57.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.043 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.048 -179.921 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.409 ' O ' HD12 ' A' ' 5' ' ' ILE . 21.0 mm . . . . . 0 N--CA 1.456 -0.147 0 CA-C-O 120.595 0.236 . . . . 0.0 110.807 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.402 ' HD2' ' CG2' ' A' ' 3' ' ' ILE . 12.0 Cg_exo -70.22 127.88 14.83 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.589 2.193 . . . . 0.0 112.393 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.56 ' N ' HD12 ' A' ' 5' ' ' ILE . 1.4 mp -91.91 -19.81 6.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.018 179.526 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.604 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 0.0 OUTLIER -178.44 110.1 0.06 Allowed 'General case' 0 C--O 1.219 -0.54 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.044 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.851 ' HB3' HG23 ' A' ' 28' ' ' THR . 3.6 pt20 -131.61 116.2 17.08 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-O 120.867 0.365 . . . . 0.0 110.242 178.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.8 p -171.12 -175.98 1.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.383 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.566 ' CE1' HD11 ' A' ' 41' ' ' ILE . 2.2 m-30 -80.83 122.53 27.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.156 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.839 HD23 ' HB3' ' A' ' 104' ' ' PHE . 4.7 mp -115.62 156.51 25.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.424 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' A' ' 104' ' ' PHE . 1.2 tp -94.86 130.38 41.47 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.361 179.325 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.459 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.1 OUTLIER -113.3 112.43 23.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.887 0.375 . . . . 0.0 110.924 -179.678 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.8 ttp180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.876 179.805 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 121.02 0.438 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -177.45 102.57 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.11 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.57 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 3.3 m95 -105.1 150.58 24.89 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.44 -179.019 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.63 153.12 38.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.491 179.564 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.17 120.87 12.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.907 0.384 . . . . 0.0 111.08 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.469 ' HE2' ' CE2' ' A' ' 37' ' ' TYR . 4.4 mmmm -126.62 166.77 16.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.409 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.485 ' CE1' ' CG ' ' A' ' 44' ' ' TYR . 47.6 t80 -123.26 115.28 21.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.609 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.693 HG23 ' HB2' ' A' ' 10' ' ' LEU . 1.9 t -119.82 149.3 22.5 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.336 0 CA-C-O 121.053 0.454 . . . . 0.0 111.515 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.851 HG23 ' HB3' ' A' ' 7' ' ' GLN . 93.6 m -138.67 121.36 16.36 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.121 177.458 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.751 HD23 ' CZ3' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -99.65 113.16 25.42 Favored 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 178.206 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.451 ' C ' HD13 ' A' ' 5' ' ' ILE . 37.5 t -103.09 164.08 11.83 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.138 0.494 . . . . 0.0 111.364 -178.302 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.512 ' HB2' HD11 ' A' ' 5' ' ' ILE . 6.6 t -80.55 4.84 17.09 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.178 179.61 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -92.99 26.06 2.96 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.751 0.31 . . . . 0.0 111.153 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 53.16 41.42 61.0 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.681 -0.771 . . . . 0.0 111.951 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.533 ' N ' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -139.26 126.86 21.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.007 0.432 . . . . 0.0 111.513 -179.397 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.965 HD23 HG21 ' A' ' 94' ' ' ILE . 1.6 tp -106.43 117.22 33.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.664 179.068 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.863 HD23 ' CG ' ' A' ' 52' ' ' GLU . 0.2 OUTLIER -115.48 144.55 43.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.017 0.437 . . . . 0.0 111.64 -179.095 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.469 ' CE2' ' HE2' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -150.1 125.14 9.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.403 179.175 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.489 ' HB3' ' CB ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -114.98 161.78 27.42 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.76 -179.184 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.43 ' HD2' ' HB3' ' A' ' 38' ' ' HIS . 86.3 Cg_exo -47.4 -51.8 8.98 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.667 2.245 . . . . 0.0 112.731 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.32 -171.49 3.93 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.098 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.753 HG22 HD12 ' A' ' 45' ' ' ILE . 3.2 mp -64.28 -41.32 92.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.954 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.511 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 1.5 m120 -51.83 -27.17 11.63 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.349 0.595 . . . . 0.0 110.004 179.179 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.742 ' HA ' HG23 ' A' ' 48' ' ' THR . 3.5 m-20 -76.85 -41.2 44.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.827 179.625 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.485 ' CG ' ' CE1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -70.35 -51.15 32.07 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.31 0.576 . . . . 0.0 110.103 179.417 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.753 HD12 HG22 ' A' ' 41' ' ' ILE . 25.0 mt -57.09 -61.9 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.36 -0.837 . . . . 0.0 111.024 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.511 ' CD2' ' O ' ' A' ' 42' ' ' ASN . 15.3 m-70 -73.6 -24.86 60.11 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.902 -178.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.9 m 75.12 72.57 0.09 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.973 0.415 . . . . 0.0 111.907 178.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.742 HG23 ' HA ' ' A' ' 43' ' ' ASP . 30.1 p -89.51 -153.58 0.28 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.059 -0.518 . . . . 0.0 109.902 178.649 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -38.07 -57.2 1.08 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.942 0.401 . . . . 0.0 111.212 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.455 ' CA ' ' CD2' ' A' ' 38' ' ' HIS . . . 55.36 97.45 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.39 0 CA-C-N 115.908 -0.587 . . . . 0.0 113.017 179.476 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.438 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . 1.7 mmtp -70.34 149.59 47.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.637 0.256 . . . . 0.0 110.805 179.692 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.863 ' CG ' HD23 ' A' ' 36' ' ' LEU . 10.7 mt-10 -140.45 133.28 29.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.024 0.44 . . . . 0.0 110.835 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.54 ' CE ' ' CG ' ' A' ' 102' ' ' TRP . 0.6 OUTLIER -121.04 119.0 31.23 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.398 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.8 128.91 39.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.382 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.909 HD13 ' CB ' ' A' ' 122' ' ' GLN . 17.0 mt -93.7 30.3 1.82 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.484 -179.334 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.39 -61.63 1.79 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.78 0.324 . . . . 0.0 110.888 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -118.95 47.5 1.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.783 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.533 HG22 ' O ' ' A' ' 95' ' ' VAL . 0.4 OUTLIER -94.58 162.08 13.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.091 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.27 170.9 12.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.582 179.633 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.416 ' HA ' ' O ' ' A' ' 93' ' ' LEU . 5.0 m . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.648 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.488 ' CG ' ' HG2' ' A' ' 112' ' ' ARG . 82.5 m-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.014 0.435 . . . . 0.0 111.697 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.53 ' HB3' ' HE1' ' A' ' 103' ' ' HIS . 3.9 mp0 -143.93 129.92 19.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.028 179.477 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.567 ' CE2' HD11 ' A' ' 94' ' ' ILE . 2.8 p90 -129.84 137.81 50.65 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.984 0.421 . . . . 0.0 111.39 -179.668 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.416 ' O ' ' HA ' ' A' ' 60' ' ' VAL . 0.7 OUTLIER -106.02 143.37 34.25 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.203 -179.616 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.965 HG21 HD23 ' A' ' 35' ' ' LEU . 19.3 mm -112.38 108.65 26.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.626 179.703 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.805 HG22 HG23 ' A' ' 101' ' ' THR . 92.5 t -101.06 130.51 50.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.96 0.409 . . . . 0.0 111.632 -179.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.505 ' HA ' HG22 ' A' ' 58' ' ' THR . 0.1 OUTLIER -94.6 -174.17 3.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.249 179.352 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 p -83.39 -19.22 36.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.255 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.0 t -100.03 23.9 9.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.867 0.365 . . . . 0.0 111.155 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 83.52 -20.46 11.29 Favored Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.634 -0.793 . . . . 0.0 113.372 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 15.0 tp60 -48.64 123.9 7.5 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 117.146 0.473 . . . . 0.0 110.79 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.805 HG23 HG22 ' A' ' 95' ' ' VAL . 1.3 m -126.27 114.82 18.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.876 0.369 . . . . 0.0 111.839 -179.396 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.675 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 35.4 m0 -98.39 105.61 17.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.151 178.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.57 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.8 OUTLIER -92.32 116.55 29.07 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.676 179.678 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.839 ' HB3' HD23 ' A' ' 10' ' ' LEU . 21.7 m-85 -124.36 159.9 29.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.435 0.635 . . . . 0.0 112.212 -179.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.443 ' HB2' ' CE3' ' A' ' 22' ' ' TRP . 1.1 tt0 -124.75 108.22 11.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.1 -0.954 . . . . 0.0 109.771 179.074 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.599 ' HB2' ' HA ' ' A' ' 112' ' ' ARG . . . -52.99 119.03 4.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.602 -179.404 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.72 -37.24 75.71 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.522 179.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.61 139.84 46.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.22 179.357 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.428 ' CG ' ' HE2' ' A' ' 90' ' ' PHE . 6.8 m-30 -56.22 -36.06 68.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.198 -179.581 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -74.37 -37.91 63.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.259 0.552 . . . . 0.0 110.693 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.41 -32.02 71.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.516 -179.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.659 ' O ' HG23 ' A' ' 116' ' ' VAL . 2.3 ppt_? -56.72 -40.62 76.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.765 0.317 . . . . 0.0 110.835 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -74.84 -45.6 42.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.561 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -54.08 -52.81 59.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.326 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.751 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 57.5 m95 -57.72 -55.28 36.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.655 178.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 112' ' ' ARG . 73.4 t -53.32 -36.13 25.78 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-O 120.869 0.366 . . . . 0.0 110.041 179.596 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -77.29 -29.75 53.89 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.688 178.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.518 ' HB2' HG22 ' A' ' 5' ' ' ILE . . . -67.85 -41.82 82.33 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.452 179.379 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.615 HD12 HD21 ' A' ' 29' ' ' LEU . 2.0 mm -66.75 -51.58 54.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.156 179.404 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -64.78 -32.76 74.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.393 179.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 22.9 t -66.84 -41.48 87.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.538 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.909 ' CB ' HD13 ' A' ' 55' ' ' LEU . 65.0 mm-40 -69.53 -35.93 75.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.379 179.633 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.468 HD11 HG22 ' A' ' 119' ' ' ILE . 16.0 mt -73.32 -33.15 40.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.71 179.488 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.7 tt -68.52 -37.89 80.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.434 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.36 -30.13 57.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 15.2 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.968 -179.868 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.488 ' N ' ' HG ' ' A' ' 31' ' ' SER . 11.9 mt . . . . . 0 N--CA 1.456 -0.14 0 CA-C-O 120.588 0.233 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.426 ' HD2' ' CG2' ' A' ' 3' ' ' ILE . 20.9 Cg_endo -60.92 130.34 32.44 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.332 2.022 . . . . 0.0 112.242 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.461 HG22 ' HB2' ' A' ' 118' ' ' ALA . 45.9 mm -91.2 -21.79 6.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.698 179.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.616 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 0.0 OUTLIER 179.95 110.6 0.04 OUTLIER 'General case' 0 C--O 1.218 -0.575 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 179.079 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.702 ' HB2' HG23 ' A' ' 28' ' ' THR . 0.5 OUTLIER -127.91 110.68 12.79 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-O 120.936 0.398 . . . . 0.0 110.7 179.679 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.02 -175.21 3.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.89 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.502 ' C ' HD12 ' A' ' 10' ' ' LEU . 2.6 m-85 -84.49 145.51 28.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.956 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.788 HD23 ' HB3' ' A' ' 104' ' ' PHE . 6.6 mp -137.19 153.63 50.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.824 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.503 HD23 ' HB2' ' A' ' 22' ' ' TRP . 1.0 OUTLIER -87.64 137.66 32.14 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.256 179.38 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.462 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.0 OUTLIER -129.65 123.84 32.21 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.834 0.35 . . . . 0.0 111.427 -179.389 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.467 ' HG3' ' CE2' ' A' ' 22' ' ' TRP . 23.4 mtp180 . . . . . 0 C--N 1.331 -0.216 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.009 179.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.4 mttt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 121.171 0.51 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -172.14 101.1 0.16 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.826 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.511 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 2.8 m95 -98.07 143.63 28.41 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.337 -178.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.9 158.88 28.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.488 179.64 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.86 124.03 20.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.849 0.356 . . . . 0.0 110.815 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.406 ' HD2' ' HB3' ' A' ' 12' ' ' LYS . 0.8 OUTLIER -126.58 -174.08 3.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.047 -179.776 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.461 ' O ' ' HA ' ' A' ' 37' ' ' TYR . 2.0 t80 -137.56 129.39 28.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.221 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.699 ' CG1' HD11 ' A' ' 35' ' ' LEU . 1.6 t -137.53 145.78 28.74 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.286 0 CA-C-O 120.995 0.426 . . . . 0.0 111.645 -179.67 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.702 HG23 ' HB2' ' A' ' 7' ' ' GLN . 86.9 m -138.86 110.73 7.2 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.731 177.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.786 HD12 ' OE1' ' A' ' 122' ' ' GLN . 0.2 OUTLIER -89.31 115.78 27.04 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 178.249 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.0 p -100.58 157.44 16.66 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.691 -178.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.488 ' HG ' ' N ' ' A' ' 3' ' ' ILE . 18.3 p -77.48 -1.3 29.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.87 179.092 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -88.76 26.24 1.57 Allowed 'General case' 0 CA--C 1.521 -0.156 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.219 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.425 ' C ' ' HB2' ' A' ' 55' ' ' LEU . . . 57.09 40.32 91.24 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.398 -0.906 . . . . 0.0 111.206 -179.296 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.485 ' N ' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -138.28 144.78 40.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.206 0.527 . . . . 0.0 111.7 -179.334 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.761 HD23 HG21 ' A' ' 94' ' ' ILE . 2.5 tp -129.25 116.97 19.95 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.703 179.025 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.646 HD12 ' O ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -120.07 136.69 54.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.858 0.361 . . . . 0.0 111.399 -179.256 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.588 ' HB3' HG13 ' A' ' 27' ' ' VAL . 0.5 OUTLIER -139.61 136.25 34.16 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.675 179.137 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.501 ' HB3' ' CB ' ' A' ' 43' ' ' ASP . 0.3 OUTLIER -116.49 160.21 37.09 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.925 -179.47 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -48.18 -45.77 24.72 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.725 2.283 . . . . 0.0 112.619 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.2 t -157.11 -170.88 3.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.929 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.705 HG22 HD12 ' A' ' 45' ' ' ILE . 3.8 mp -64.84 -43.33 96.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.843 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.525 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 1.8 p-10 -51.8 -27.08 11.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.388 0.613 . . . . 0.0 110.053 179.091 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.764 ' HA ' HG23 ' A' ' 48' ' ' THR . 3.8 m-20 -76.75 -39.9 50.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.806 179.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -72.14 -51.12 22.82 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.238 0.542 . . . . 0.0 110.091 179.442 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.705 HD12 HG22 ' A' ' 41' ' ' ILE . 18.9 mt -56.52 -61.29 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.911 179.607 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.525 ' CD2' ' O ' ' A' ' 42' ' ' ASN . 14.8 m-70 -73.42 -25.0 60.33 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.859 -1.064 . . . . 0.0 111.677 -179.036 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 73.88 71.1 0.11 Allowed 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 178.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.764 HG23 ' HA ' ' A' ' 43' ' ' ASP . 30.2 p -84.86 -152.5 0.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 178.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -39.21 -56.17 1.54 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.932 0.396 . . . . 0.0 111.185 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.441 ' HA2' ' CD2' ' A' ' 38' ' ' HIS . . . 59.3 98.89 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.909 -0.663 . . . . 0.0 112.804 179.447 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.19 156.77 35.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.695 0.283 . . . . 0.0 110.764 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.433 ' HA ' ' O ' ' A' ' 35' ' ' LEU . 16.4 pt-20 -158.8 154.62 26.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.755 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.651 ' HE3' ' CE2' ' A' ' 102' ' ' TRP . 7.0 ptp -144.82 151.1 38.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.363 -179.366 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -83.88 120.65 26.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.651 178.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.748 HD13 ' CB ' ' A' ' 122' ' ' GLN . 2.1 mt -84.99 40.21 0.8 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.646 -179.134 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.68 -61.65 1.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.835 0.35 . . . . 0.0 110.846 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.43 39.43 3.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.803 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.563 HG22 ' O ' ' A' ' 95' ' ' VAL . 0.2 OUTLIER -80.51 161.97 24.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.991 -179.899 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -133.28 159.28 40.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.573 179.628 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.3 m . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.842 179.853 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.519 ' CD1' ' CD1' ' A' ' 109' ' ' PHE . 3.4 m-85 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.938 0.399 . . . . 0.0 110.79 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -138.94 137.1 36.13 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 -179.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.643 ' CE2' HD11 ' A' ' 94' ' ' ILE . 4.9 p90 -129.5 145.49 51.44 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.992 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.445 HD23 ' HB2' ' A' ' 103' ' ' HIS . 0.7 OUTLIER -105.27 150.83 24.81 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.186 -179.626 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.761 HG21 HD23 ' A' ' 35' ' ' LEU . 7.3 mm -124.33 108.75 21.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.572 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.609 HG22 HG23 ' A' ' 101' ' ' THR . 66.6 t -99.01 122.92 51.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.018 0.437 . . . . 0.0 111.492 -179.7 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.536 ' HA ' HG22 ' A' ' 58' ' ' THR . 13.4 p -88.54 -176.31 5.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.345 179.382 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 27.1 t -85.26 -2.0 57.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.303 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.4 t -112.48 21.07 16.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.91 0.386 . . . . 0.0 111.015 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 80.2 -17.7 9.43 Favored Glycine 0 CA--C 1.52 0.373 0 C-N-CA 120.82 -0.705 . . . . 0.0 113.577 179.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -61.54 119.72 9.15 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 117.289 0.544 . . . . 0.0 110.481 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.609 HG23 HG22 ' A' ' 95' ' ' VAL . 4.7 m -114.54 115.43 27.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.671 -179.411 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.651 ' CE2' ' HE3' ' A' ' 53' ' ' MET . 38.8 m0 -93.67 105.5 17.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.38 179.102 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.511 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.7 OUTLIER -95.78 116.12 28.43 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.366 -0.534 . . . . 0.0 110.174 179.091 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.788 ' HB3' HD23 ' A' ' 10' ' ' LEU . 18.4 m-85 -122.18 164.7 17.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.33 0.586 . . . . 0.0 111.783 -179.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.447 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 45.1 tt0 -129.56 103.18 6.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.601 178.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.607 ' HB3' ' HB2' ' A' ' 112' ' ' ARG . . . -49.64 126.35 13.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.797 -179.061 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.69 -28.3 68.51 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.498 179.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.99 143.45 51.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.437 179.567 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.519 ' CD1' ' CD1' ' A' ' 90' ' ' PHE . 23.0 m-85 -57.76 -45.65 85.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.148 -179.567 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -61.88 -40.68 96.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.966 0.412 . . . . 0.0 110.533 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.58 -34.37 78.09 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.033 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.607 ' HB2' ' HB3' ' A' ' 106' ' ' ALA . 0.3 OUTLIER -56.78 -49.45 75.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.877 -179.817 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -65.35 -43.0 92.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.375 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.46 -52.56 64.23 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.751 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 50.6 m95 -56.56 -55.83 28.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.664 178.64 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.603 HG23 ' O ' ' A' ' 112' ' ' ARG . 96.5 t -53.2 -36.58 25.83 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-O 120.914 0.387 . . . . 0.0 110.228 179.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -75.86 -30.14 58.8 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.773 178.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.461 ' HB2' HG22 ' A' ' 5' ' ' ILE . . . -69.87 -36.62 75.63 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.335 179.32 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.766 HD12 HD21 ' A' ' 29' ' ' LEU . 2.0 mm -68.54 -52.35 37.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.234 179.403 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.908 ' HA ' HD12 ' A' ' 123' ' ' ILE . 5.3 mm-40 -65.28 -32.88 74.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.975 0.417 . . . . 0.0 110.221 179.243 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 29.8 t -65.12 -40.48 94.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.366 179.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.786 ' OE1' HD12 ' A' ' 29' ' ' LEU . 1.0 OUTLIER -68.98 -32.71 72.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.397 179.452 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.908 HD12 ' HA ' ' A' ' 120' ' ' GLU . 10.6 mt -72.8 -35.82 50.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.966 179.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.415 HD13 ' O ' ' A' ' 120' ' ' GLU . 5.2 mp -68.64 -38.48 80.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.533 179.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.36 -27.0 56.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.052 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 39.4 m . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.03 -179.974 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.403 ' CG2' ' HD2' ' A' ' 4' ' ' PRO . 12.8 mm . . . . . 0 N--CA 1.456 -0.152 0 CA-C-O 120.541 0.21 . . . . 0.0 110.546 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.403 ' HD2' ' CG2' ' A' ' 3' ' ' ILE . 26.6 Cg_endo -62.85 127.55 20.8 Favored 'Trans proline' 0 N--CA 1.464 -0.214 0 C-N-CA 122.176 1.917 . . . . 0.0 112.337 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.421 HG22 ' HB2' ' A' ' 118' ' ' ALA . 28.6 mm -91.56 -19.79 6.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.553 -0.748 . . . . 0.0 111.161 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.629 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 4.4 tptt 178.92 110.53 0.03 OUTLIER 'General case' 0 C--O 1.215 -0.74 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.154 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.873 ' HB3' HG23 ' A' ' 28' ' ' THR . 12.4 pt20 -130.9 108.99 10.22 Favored 'General case' 0 C--N 1.311 -1.095 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.459 179.39 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 98.1 p -162.82 -174.99 4.17 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.365 -179.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.805 ' O ' HD12 ' A' ' 10' ' ' LEU . 1.0 OUTLIER -80.03 145.0 32.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.106 -179.778 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 1.072 HD22 HG21 ' A' ' 27' ' ' VAL . 8.9 mp -140.24 151.38 45.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.512 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.48 HD23 ' HB2' ' A' ' 22' ' ' TRP . 1.1 tp -88.19 134.96 33.65 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 179.114 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.414 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.1 OUTLIER -121.3 111.1 16.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.946 0.403 . . . . 0.0 111.266 -179.399 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.413 ' CB ' ' HD2' ' A' ' 20' ' ' LYS . 3.7 ptm180 . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.973 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.413 ' HD2' ' CB ' ' A' ' 13' ' ' ARG . 0.8 OUTLIER . . . . . 0 CA--C 1.529 0.164 0 CA-C-O 120.975 0.417 . . . . 0.0 111.223 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -168.81 99.49 0.39 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.868 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.588 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 2.6 m95 -102.8 139.28 38.59 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.217 -178.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.0 mmtt -115.0 157.75 23.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.531 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.5 mmtp -63.02 122.99 17.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.853 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -124.96 -174.04 2.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.795 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.495 ' CE1' ' CG ' ' A' ' 44' ' ' TYR . 46.6 t80 -144.48 115.04 7.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.496 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 1.072 HG21 HD22 ' A' ' 10' ' ' LEU . 1.3 t -119.63 148.54 22.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.846 0.355 . . . . 0.0 111.589 -179.605 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.873 HG23 ' HB3' ' A' ' 7' ' ' GLN . 87.6 m -138.74 111.91 7.99 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.428 178.053 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.689 HD23 ' CZ3' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -89.26 117.1 27.98 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 177.774 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.421 ' HB3' HD21 ' A' ' 32' ' ' ASN . 5.5 t -105.95 164.91 11.59 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.991 0.424 . . . . 0.0 111.458 -178.663 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.5 t -78.34 1.01 23.27 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.808 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.421 HD21 ' HB3' ' A' ' 30' ' ' SER . 0.3 OUTLIER -93.51 26.05 3.19 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 120.744 0.307 . . . . 0.0 111.319 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.411 ' C ' ' HB2' ' A' ' 55' ' ' LEU . . . 55.46 42.29 83.19 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.619 -0.8 . . . . 0.0 111.803 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.426 ' CD1' ' HB2' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -138.82 128.18 24.34 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.159 0.504 . . . . 0.0 111.482 -179.753 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 1.022 HD23 HG21 ' A' ' 94' ' ' ILE . 1.0 OUTLIER -107.92 117.07 33.16 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.599 179.282 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.639 ' N ' HD12 ' A' ' 35' ' ' LEU . 0.4 OUTLIER -113.29 150.52 32.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.915 0.388 . . . . 0.0 111.698 -179.165 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.411 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -151.5 129.34 11.66 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.905 179.395 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.509 ' HB3' ' HB3' ' A' ' 43' ' ' ASP . 0.4 OUTLIER -119.69 161.59 37.03 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.574 -179.635 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -48.07 -43.62 30.18 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.658 2.239 . . . . 0.0 112.882 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -160.47 -167.31 1.86 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.936 0.398 . . . . 0.0 111.173 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.661 HG22 HD12 ' A' ' 45' ' ' ILE . 3.6 mp -66.16 -47.27 85.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.953 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.511 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 8.6 m-80 -51.9 -25.64 8.51 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.26 0.552 . . . . 0.0 110.286 179.22 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.509 ' HB3' ' HB3' ' A' ' 38' ' ' HIS . 5.5 m-20 -76.79 -42.31 41.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.57 179.644 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.495 ' CG ' ' CE1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -69.13 -51.01 42.68 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.212 0.53 . . . . 0.0 110.14 179.567 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.661 HD12 HG22 ' A' ' 41' ' ' ILE . 25.4 mt -58.23 -62.19 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.266 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.511 ' CD2' ' O ' ' A' ' 42' ' ' ASN . 15.3 m-70 -73.52 -24.47 60.15 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.892 -1.049 . . . . 0.0 112.159 -178.535 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.0 t 77.29 74.17 0.07 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.976 0.417 . . . . 0.0 111.228 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.465 ' O ' ' HB3' ' A' ' 43' ' ' ASP . 68.5 p -144.76 117.97 8.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.156 179.288 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 62.8 m80 63.96 88.69 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 -178.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.479 ' HA3' ' CD2' ' A' ' 38' ' ' HIS . . . -141.85 88.97 0.18 Allowed Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.93 -179.515 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.425 ' HB3' ' CZ2' ' A' ' 102' ' ' TRP . 0.0 OUTLIER -68.4 143.13 55.2 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.811 0.338 . . . . 0.0 110.994 -179.559 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.512 ' HB3' HD23 ' A' ' 36' ' ' LEU . 8.7 pt-20 -138.05 150.59 47.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.676 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.707 ' HE3' ' CE2' ' A' ' 102' ' ' TRP . 10.0 ptp -135.76 151.39 50.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.206 -179.697 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -76.91 129.46 36.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.989 179.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.753 HD13 ' CB ' ' A' ' 122' ' ' GLN . 9.1 mt -91.39 25.59 2.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.566 -179.3 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 tt -82.95 -48.39 10.73 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.962 0.411 . . . . 0.0 110.651 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 -123.77 55.59 1.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.428 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.731 HG22 ' O ' ' A' ' 95' ' ' VAL . 0.3 OUTLIER -102.31 161.97 13.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.918 -179.681 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -134.33 168.61 18.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.637 179.72 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 20.8 t . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 179.832 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.445 ' CD2' ' HG2' ' A' ' 112' ' ' ARG . 16.5 m-85 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.837 0.351 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -140.4 136.13 32.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 -179.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.728 ' CE2' HD11 ' A' ' 94' ' ' ILE . 4.1 p90 -132.96 146.74 52.05 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.741 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -107.52 148.88 28.65 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.645 -179.246 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 1.022 HG21 HD23 ' A' ' 35' ' ' LEU . 10.0 mm -123.07 110.27 25.93 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.785 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.738 HG22 HG23 ' A' ' 101' ' ' THR . 56.6 t -99.63 134.51 38.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.006 0.431 . . . . 0.0 111.613 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.453 ' HB2' ' HE2' ' A' ' 53' ' ' MET . 48.1 t -95.72 -174.09 3.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.528 179.421 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.61 -18.52 44.45 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.315 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.0 t -99.37 24.57 7.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.895 0.378 . . . . 0.0 111.215 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 79.5 -11.35 32.43 Favored Glycine 0 CA--C 1.521 0.438 0 C-N-CA 120.834 -0.698 . . . . 0.0 113.361 179.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -57.22 133.92 55.48 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 117.085 0.442 . . . . 0.0 110.675 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.738 HG23 HG22 ' A' ' 95' ' ' VAL . 2.7 m -132.84 114.55 14.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.983 0.421 . . . . 0.0 111.712 -179.559 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.707 ' CE2' ' HE3' ' A' ' 53' ' ' MET . 41.4 m0 -98.48 105.7 17.88 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.875 179.081 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.588 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.8 OUTLIER -91.02 115.95 28.41 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.293 -0.563 . . . . 0.0 110.004 178.838 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.862 ' HB3' HD23 ' A' ' 10' ' ' LEU . 26.1 m-85 -119.33 161.56 20.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.258 0.551 . . . . 0.0 111.96 -179.338 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.48 ' HB2' ' CE3' ' A' ' 22' ' ' TRP . 0.3 OUTLIER -126.57 102.49 7.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.188 -0.914 . . . . 0.0 109.725 178.794 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.6 ' HB3' ' HB3' ' A' ' 112' ' ' ARG . . . -56.73 127.49 31.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.593 -179.299 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.76 -32.86 74.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.587 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.1 m -114.46 147.31 39.51 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.509 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.4 ' O ' ' HG3' ' A' ' 112' ' ' ARG . 10.3 m-30 -66.0 -34.81 78.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.195 -179.725 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.83 -33.45 64.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.985 0.422 . . . . 0.0 110.898 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.19 -38.92 82.5 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.54 -179.512 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.605 ' O ' HG23 ' A' ' 116' ' ' VAL . 0.0 OUTLIER -56.77 -36.83 70.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.697 0.284 . . . . 0.0 110.834 -179.549 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -74.39 -47.01 36.62 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.496 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.467 ' HB1' ' HD3' ' A' ' 6' ' ' LYS . . . -55.04 -48.68 73.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.228 179.459 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.689 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 56.8 m95 -59.06 -54.97 41.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.835 179.078 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 112' ' ' ARG . 75.3 t -55.64 -34.5 35.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.916 0.388 . . . . 0.0 110.199 179.656 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.417 ' HA ' ' CG ' ' A' ' 120' ' ' GLU . 0.1 OUTLIER -80.75 -27.03 36.94 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.486 179.073 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 114' ' ' ALA . . . -72.14 -43.95 63.88 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 121.1 0.476 . . . . 0.0 110.245 179.347 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.671 HG13 HD21 ' A' ' 29' ' ' LEU . 2.5 mp -66.66 -49.62 73.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.121 179.336 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.797 ' HA ' HD12 ' A' ' 123' ' ' ILE . 0.0 OUTLIER -64.81 -32.54 74.28 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 110.113 -0.328 . . . . 0.0 110.113 179.213 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 117' ' ' GLN . 11.5 t -66.44 -45.96 78.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.65 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.753 ' CB ' HD13 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -63.51 -31.77 73.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.496 179.713 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.797 HD12 ' HA ' ' A' ' 120' ' ' GLU . 20.0 mt -70.51 -38.96 75.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 179.583 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.64 -35.04 76.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.817 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.26 -32.39 58.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.029 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.412 ' O ' ' HB2' ' A' ' 31' ' ' SER . 18.6 mm . . . . . 0 N--CA 1.455 -0.198 0 CA-C-O 120.563 0.221 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 31.2 Cg_exo -58.72 125.89 19.62 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.201 1.934 . . . . 0.0 112.246 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.488 ' N ' ' O ' ' A' ' 29' ' ' LEU . 29.0 mm -94.79 -18.73 6.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.506 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.593 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 3.4 tptt 176.77 110.44 0.02 OUTLIER 'General case' 0 C--O 1.22 -0.451 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 179.016 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.763 ' HB2' HG23 ' A' ' 28' ' ' THR . 0.1 OUTLIER -131.89 117.46 18.52 Favored 'General case' 0 C--N 1.314 -0.938 0 C-N-CA 120.952 -0.299 . . . . 0.0 110.467 179.512 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.63 -175.06 0.74 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.12 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.604 ' CD1' HD11 ' A' ' 41' ' ' ILE . 0.8 OUTLIER -79.42 132.41 36.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.871 -179.887 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.875 HD23 ' HB3' ' A' ' 104' ' ' PHE . 4.5 mp -126.74 148.72 49.86 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.688 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.448 ' CB ' ' HB3' ' A' ' 105' ' ' GLU . 1.3 tp -87.47 129.89 34.9 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.264 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.404 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.2 OUTLIER -112.36 112.51 24.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.876 0.369 . . . . 0.0 111.183 -179.688 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.13 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.7 mttt . . . . . 0 C--O 1.232 0.163 0 CA-C-O 121.008 0.433 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -173.47 101.63 0.12 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.94 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.608 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 2.7 m95 -100.35 148.64 24.47 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.273 -179.275 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.8 154.11 33.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.728 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.14 116.14 5.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.687 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.424 ' CE ' ' HA ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -117.82 -174.25 2.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.081 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.421 ' CE1' ' HB2' ' A' ' 44' ' ' TYR . 54.7 t80 -143.47 115.18 8.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.349 -179.615 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.698 HG23 ' HB2' ' A' ' 10' ' ' LEU . 2.3 t -122.98 152.78 27.79 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.324 0 CA-C-O 121.174 0.512 . . . . 0.0 111.919 -179.314 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.763 HG23 ' HB2' ' A' ' 7' ' ' GLN . 89.1 m -138.57 124.7 20.2 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.24 177.124 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.765 HD23 ' CZ3' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -105.47 114.23 28.28 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 178.319 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.1 t -106.11 159.46 16.06 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.055 0.455 . . . . 0.0 111.177 -178.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.412 ' HB2' ' O ' ' A' ' 3' ' ' ILE . 1.3 t -74.73 2.63 9.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.21 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -90.02 26.13 1.94 Allowed 'General case' 0 CA--C 1.523 -0.086 0 CA-C-O 120.748 0.308 . . . . 0.0 111.339 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 52.76 40.37 56.46 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.556 -0.83 . . . . 0.0 111.814 -179.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.419 ' CE1' ' HB2' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -137.94 132.4 32.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.001 0.429 . . . . 0.0 111.589 -179.588 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.967 HD23 HG21 ' A' ' 94' ' ' ILE . 1.4 tp -116.04 117.07 29.09 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.801 179.151 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.625 ' N ' HD12 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -119.05 150.73 39.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.828 0.347 . . . . 0.0 111.186 -179.478 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.516 ' HB2' HG22 ' A' ' 27' ' ' VAL . 0.4 OUTLIER -154.1 137.04 15.42 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.293 0.568 . . . . 0.0 111.31 179.598 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.491 ' HB3' ' HB3' ' A' ' 43' ' ' ASP . 0.5 OUTLIER -120.07 161.93 36.06 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.429 -179.861 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.424 ' HA ' ' CE ' ' A' ' 25' ' ' LYS . 78.7 Cg_exo -48.26 -34.67 25.22 Favored 'Trans proline' 0 CA--C 1.529 0.273 0 C-N-CA 122.659 2.24 . . . . 0.0 112.788 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.61 -167.72 0.46 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.885 0.374 . . . . 0.0 111.307 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.732 HG22 HD12 ' A' ' 45' ' ' ILE . 4.0 mp -65.3 -47.07 88.62 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.491 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 18.8 p-10 -51.59 -27.15 10.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.376 0.607 . . . . 0.0 109.976 179.19 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.498 ' HB3' ' O ' ' A' ' 48' ' ' THR . 5.4 m-20 -76.81 -42.77 39.22 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.734 179.535 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.421 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 0.4 OUTLIER -67.89 -51.08 52.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.237 0.541 . . . . 0.0 110.025 179.642 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.732 HD12 HG22 ' A' ' 41' ' ' ILE . 30.5 mt -59.13 -62.76 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.33 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.491 ' CD2' ' O ' ' A' ' 42' ' ' ASN . 16.0 m-70 -73.35 -24.39 60.34 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.904 -1.044 . . . . 0.0 112.369 -178.402 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.5 m 77.96 74.62 0.06 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.029 0.443 . . . . 0.0 111.383 179.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.498 ' O ' ' HB3' ' A' ' 43' ' ' ASP . 72.0 p -144.11 116.78 8.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.125 179.224 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 64.17 88.13 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.778 -0.452 . . . . 0.0 109.778 -178.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.463 ' HA3' ' CD2' ' A' ' 38' ' ' HIS . . . -137.28 86.82 0.23 Allowed Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.759 -179.624 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.454 ' HB3' ' CZ2' ' A' ' 102' ' ' TRP . 0.0 OUTLIER -68.38 153.62 43.4 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.85 0.357 . . . . 0.0 111.126 -179.429 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.429 ' HA ' ' O ' ' A' ' 35' ' ' LEU . 2.4 pt-20 -153.37 133.33 13.24 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.375 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.743 ' HE3' ' CE2' ' A' ' 102' ' ' TRP . 12.2 ptp -119.99 150.14 41.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.368 -179.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.6 p-10 -78.34 124.71 28.41 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 178.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.652 HD21 HG23 ' A' ' 119' ' ' ILE . 0.5 OUTLIER -86.81 32.26 0.67 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -179.12 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.25 -48.06 10.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.92 0.39 . . . . 0.0 110.487 179.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -129.25 58.19 1.62 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.327 179.673 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.63 HG22 ' O ' ' A' ' 95' ' ' VAL . 0.2 OUTLIER -104.15 161.94 13.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.092 -179.606 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.02 163.98 23.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.388 179.562 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' A' ' 93' ' ' LEU . 14.6 m . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.946 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.448 ' CD2' ' HD3' ' A' ' 112' ' ' ARG . 2.8 m-85 . . . . . 0 CA--C 1.528 0.131 0 CA-C-O 120.732 0.301 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -151.33 136.43 17.46 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.531 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.634 ' CE1' HD11 ' A' ' 94' ' ' ILE . 9.5 p90 -131.85 148.17 52.53 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.936 0.398 . . . . 0.0 111.295 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.414 ' O ' ' HA ' ' A' ' 60' ' ' VAL . 1.3 mt -111.04 137.92 48.09 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.695 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.967 HG21 HD23 ' A' ' 35' ' ' LEU . 12.7 mm -113.76 108.93 26.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.116 -179.669 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.654 HG22 HG23 ' A' ' 101' ' ' THR . 84.5 t -99.84 123.73 52.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.876 0.369 . . . . 0.0 111.384 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.531 ' HA ' HG22 ' A' ' 58' ' ' THR . 8.6 t -91.84 171.61 9.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.719 179.63 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 11.0 t -68.85 -13.64 62.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.368 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.9 p -101.63 24.12 10.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.04 0.448 . . . . 0.0 111.191 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 69.45 6.15 53.09 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.924 -0.655 . . . . 0.0 113.103 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.3 115.47 16.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.995 0.397 . . . . 0.0 110.252 179.577 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.654 HG23 HG22 ' A' ' 95' ' ' VAL . 2.7 m -109.83 114.77 28.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.053 0.454 . . . . 0.0 111.637 -179.372 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.743 ' CE2' ' HE3' ' A' ' 53' ' ' MET . 32.3 m0 -100.28 105.58 17.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.444 179.036 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.608 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.8 OUTLIER -91.78 116.43 28.89 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.173 179.105 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.875 ' HB3' HD23 ' A' ' 10' ' ' LEU . 22.9 m-85 -121.28 162.71 19.77 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.533 0.682 . . . . 0.0 112.384 -179.168 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.475 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 1.0 OUTLIER -131.27 100.34 5.15 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 114.828 -1.078 . . . . 0.0 109.607 179.098 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.696 ' HB3' ' HB2' ' A' ' 112' ' ' ARG . . . -51.57 123.1 9.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.685 -179.371 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.64 -31.89 69.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.666 179.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -114.57 140.62 48.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.48 179.545 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.437 ' HA ' ' CD2' ' A' ' 90' ' ' PHE . 4.1 m-85 -57.72 -39.73 77.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.19 -179.748 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -72.73 -32.77 65.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.773 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -66.71 -36.84 83.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.091 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.696 ' HB2' ' HB3' ' A' ' 106' ' ' ALA . 0.0 OUTLIER -56.46 -49.45 74.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.867 -179.713 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -64.72 -43.84 92.14 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.4 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.448 ' HB1' ' HD3' ' A' ' 6' ' ' LYS . . . -55.9 -51.47 67.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.136 179.213 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.765 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 54.4 m95 -56.6 -55.74 30.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.665 178.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 112' ' ' ARG . 73.2 t -53.25 -37.17 27.58 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-O 120.891 0.377 . . . . 0.0 110.29 179.534 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.28 -29.88 57.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.986 178.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.471 ' HB2' HG22 ' A' ' 5' ' ' ILE . . . -69.11 -39.4 78.96 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.259 179.352 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.752 HD12 HD21 ' A' ' 29' ' ' LEU . 1.4 mm -67.29 -52.02 46.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.118 179.435 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.628 ' HA ' HD12 ' A' ' 123' ' ' ILE . 1.0 OUTLIER -65.23 -32.9 74.81 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.312 179.284 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 29.0 t -65.52 -40.86 93.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.681 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.716 ' OE1' HD12 ' A' ' 29' ' ' LEU . 1.6 mp0 -69.68 -32.92 71.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.46 179.664 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.628 HD12 ' HA ' ' A' ' 120' ' ' GLU . 19.0 mt -73.05 -38.43 55.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.88 179.627 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 3.3 tt -66.58 -37.24 84.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.532 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.42 -28.12 56.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.984 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.331 -0.2 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.171 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 10.6 mm . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.557 0.218 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -60.29 126.83 21.11 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.438 2.092 . . . . 0.0 112.165 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.527 HD11 ' CA ' ' A' ' 31' ' ' SER . 4.3 mp -92.81 -19.74 6.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.142 179.687 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.615 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 0.3 OUTLIER -177.2 110.35 0.08 Allowed 'General case' 0 C--O 1.216 -0.693 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.03 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.818 ' HB3' HG23 ' A' ' 28' ' ' THR . 20.0 pt20 -130.74 112.16 12.82 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-O 120.855 0.36 . . . . 0.0 110.554 179.237 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -164.54 -175.18 3.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.294 -179.573 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.54 ' CE1' HD11 ' A' ' 41' ' ' ILE . 3.0 m-85 -86.83 128.69 35.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.201 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.802 HD23 ' HB3' ' A' ' 104' ' ' PHE . 7.1 mp -120.49 155.25 33.98 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.169 179.485 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.482 HD23 ' HB2' ' A' ' 22' ' ' TRP . 1.3 tp -90.36 136.65 32.92 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.082 179.425 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.421 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.1 OUTLIER -123.08 114.35 20.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.207 -179.404 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.409 ' CB ' ' HD2' ' A' ' 20' ' ' LYS . 1.2 ptm180 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.842 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.409 ' HD2' ' CB ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.052 0 CA-C-O 121.05 0.452 . . . . 0.0 111.036 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -168.7 98.91 0.4 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.863 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.516 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 2.1 m95 -102.37 143.0 32.68 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.246 -178.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.2 mtmt -117.04 161.12 19.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.438 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.13 117.43 6.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.846 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.4 tptt -118.7 178.24 4.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.826 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.51 ' CE1' ' CG ' ' A' ' 44' ' ' TYR . 52.0 t80 -135.79 127.81 29.65 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.325 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.659 HG21 HD22 ' A' ' 10' ' ' LEU . 1.4 t -136.82 144.52 32.15 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.294 0 CA-C-O 120.9 0.381 . . . . 0.0 111.83 -179.465 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.818 HG23 ' HB3' ' A' ' 7' ' ' GLN . 96.1 m -138.78 112.72 8.51 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.931 177.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.772 ' CD2' HD13 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -89.31 114.45 25.84 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 178.008 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 42.8 t -102.76 162.28 13.05 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 123.516 0.51 . . . . 0.0 111.251 -178.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.527 ' CA ' HD11 ' A' ' 5' ' ' ILE . 4.7 t -78.5 3.99 14.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.379 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -91.75 26.08 2.5 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.703 0.287 . . . . 0.0 111.317 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.429 ' C ' HD12 ' A' ' 55' ' ' LEU . . . 53.04 40.63 58.87 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.584 -0.817 . . . . 0.0 111.701 -179.723 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.62 ' N ' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -139.85 123.45 17.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.969 0.414 . . . . 0.0 111.231 -179.384 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 1.026 HD23 HG21 ' A' ' 94' ' ' ILE . 3.1 tp -99.01 117.11 32.8 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 178.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.499 HD23 ' HB3' ' A' ' 52' ' ' GLU . 0.3 OUTLIER -112.37 145.76 39.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.965 0.412 . . . . 0.0 111.6 -179.056 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.478 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -155.07 132.64 11.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.422 179.423 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.498 ' CD2' ' HA2' ' A' ' 50' ' ' GLY . 0.2 OUTLIER -120.29 160.74 42.3 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.972 -179.365 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -52.43 -27.73 32.86 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.733 2.288 . . . . 0.0 112.399 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.47 -174.78 1.24 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.815 0.341 . . . . 0.0 110.971 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.769 HG22 HD12 ' A' ' 45' ' ' ILE . 3.6 mp -63.83 -46.58 93.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.498 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 5.1 m-20 -51.77 -28.24 14.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.258 0.551 . . . . 0.0 110.271 179.309 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.438 ' CB ' ' HB3' ' A' ' 38' ' ' HIS . 1.5 m-20 -76.82 -40.13 48.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.762 179.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.51 ' CG ' ' CE1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -70.34 -51.22 31.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.185 0.517 . . . . 0.0 110.171 179.483 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.769 HD12 HG22 ' A' ' 41' ' ' ILE . 24.4 mt -58.53 -62.12 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.107 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.498 ' CD2' ' O ' ' A' ' 42' ' ' ASN . 14.8 m-70 -73.5 -24.66 60.2 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.845 -1.071 . . . . 0.0 112.185 -178.548 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.46 ' O ' ' OG ' ' A' ' 47' ' ' SER . 4.5 p 78.24 74.96 0.06 Allowed 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 121.213 0.53 . . . . 0.0 111.397 179.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 41.9 p -118.43 117.33 28.74 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.909 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 5.3 m170 72.69 -59.15 0.57 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.755 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.498 ' HA2' ' CD2' ' A' ' 38' ' ' HIS . . . 47.69 91.09 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.238 0 CA-C-N 115.638 -0.71 . . . . 0.0 113.056 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.444 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -83.57 132.8 34.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.629 0.252 . . . . 0.0 110.715 179.79 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.499 ' HB3' HD23 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -132.58 133.23 43.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.09 0.471 . . . . 0.0 111.063 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.568 ' CE ' ' CG ' ' A' ' 102' ' ' TRP . 0.1 OUTLIER -115.28 118.98 34.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.32 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.466 ' O ' HG23 ' A' ' 58' ' ' THR . 1.2 t70 -56.55 130.8 46.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.838 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.857 HD13 ' CB ' ' A' ' 122' ' ' GLN . 23.5 mt -98.32 33.39 2.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.245 -179.703 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.5 tp -83.14 -51.51 7.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.802 0.334 . . . . 0.0 110.822 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 31.9 mtm-85 -131.78 47.22 2.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.593 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.569 HG22 ' O ' ' A' ' 95' ' ' VAL . 0.6 OUTLIER -89.48 161.94 15.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.204 -179.641 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.7 172.11 11.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.534 179.587 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.766 HG11 HG23 ' A' ' 116' ' ' VAL . 14.3 t . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.016 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.492 ' CE2' ' CD1' ' A' ' 109' ' ' PHE . 7.5 m-85 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.858 0.361 . . . . 0.0 111.179 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -139.85 132.86 29.46 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.762 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.62 ' CE2' HD11 ' A' ' 94' ' ' ILE . 7.6 p90 -123.34 159.8 28.08 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.744 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -120.4 149.18 42.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.02 0.438 . . . . 0.0 111.83 -179.224 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 1.026 HG21 HD23 ' A' ' 35' ' ' LEU . 14.1 mm -120.31 108.63 23.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.217 179.57 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.987 HG22 HG23 ' A' ' 101' ' ' THR . 59.8 t -103.59 135.63 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.981 0.42 . . . . 0.0 111.92 -179.322 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.519 ' HA ' HG22 ' A' ' 58' ' ' THR . 48.0 t -99.13 -173.98 2.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.258 179.226 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 28.7 p -88.0 -0.01 56.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.506 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.0 t -114.33 22.61 13.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.991 0.424 . . . . 0.0 110.896 179.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 83.59 -21.15 9.45 Favored Glycine 0 CA--C 1.519 0.317 0 C-N-CA 120.803 -0.713 . . . . 0.0 113.309 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.36 129.07 30.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 117.083 0.441 . . . . 0.0 110.864 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.987 HG23 HG22 ' A' ' 95' ' ' VAL . 2.0 m -131.88 114.84 15.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.885 0.374 . . . . 0.0 111.63 -179.646 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.633 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 35.4 m0 -95.3 105.56 17.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.223 179.025 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.516 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.7 OUTLIER -94.74 116.1 28.32 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.27 -0.572 . . . . 0.0 110.427 179.237 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.802 ' HB3' HD23 ' A' ' 10' ' ' LEU . 20.9 m-85 -121.76 166.01 14.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.212 0.529 . . . . 0.0 111.37 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.48 ' HB3' ' CB ' ' A' ' 11' ' ' LEU . 36.6 tt0 -126.76 107.11 9.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.744 178.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -52.5 121.56 7.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.901 -179.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.27 -30.61 71.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.416 179.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -118.48 147.8 43.25 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.349 179.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.492 ' CD1' ' CE2' ' A' ' 90' ' ' PHE . 17.2 m-30 -65.93 -38.35 88.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.284 -179.745 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.71 -37.4 65.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.08 0.467 . . . . 0.0 110.619 179.599 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.51 -35.69 80.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.483 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.62 -40.99 76.32 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.789 0.328 . . . . 0.0 110.937 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.611 ' O ' HG12 ' A' ' 116' ' ' VAL . 26.2 t0 -74.68 -35.57 62.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.616 179.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.477 ' HB1' ' HD3' ' A' ' 6' ' ' LYS . . . -64.45 -46.75 81.77 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 179.288 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.743 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 60.4 m95 -60.64 -53.0 62.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.73 178.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.766 HG23 HG11 ' A' ' 60' ' ' VAL . 2.4 p -53.82 -37.63 33.41 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-O 121.053 0.454 . . . . 0.0 110.223 179.409 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.49 ' HA ' ' HG2' ' A' ' 120' ' ' GLU . 4.3 mm-40 -77.09 -32.07 56.42 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.269 179.14 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.523 ' HB2' HG22 ' A' ' 5' ' ' ILE . . . -65.97 -47.3 75.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.819 179.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.627 HG13 HD21 ' A' ' 29' ' ' LEU . 2.7 mp -64.38 -48.49 85.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.608 179.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.801 ' HA ' HD12 ' A' ' 123' ' ' ILE . 11.1 pt-20 -68.08 -32.78 73.34 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.317 179.387 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 117' ' ' GLN . 7.6 m -66.0 -38.7 89.14 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.998 0.428 . . . . 0.0 110.21 179.386 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.857 ' CB ' HD13 ' A' ' 55' ' ' LEU . 0.9 OUTLIER -69.05 -34.57 75.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.321 179.514 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.801 HD12 ' HA ' ' A' ' 120' ' ' GLU . 20.0 mt -69.38 -36.97 74.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.003 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 2.1 tp -68.6 -41.36 79.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.728 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -74.23 -28.07 61.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.123 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 89.2 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.93 -179.981 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.404 ' CG2' ' HD2' ' A' ' 4' ' ' PRO . 15.8 mt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.547 0.213 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.404 ' HD2' ' CG2' ' A' ' 3' ' ' ILE . 43.6 Cg_endo -68.46 133.75 28.95 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.508 2.139 . . . . 0.0 112.505 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.475 HG22 ' HB2' ' A' ' 118' ' ' ALA . 44.5 mm -95.0 -21.11 5.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.582 179.404 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.6 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 0.4 OUTLIER -179.95 110.24 0.04 OUTLIER 'General case' 0 C--O 1.217 -0.62 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 178.869 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.779 ' HB2' HG23 ' A' ' 28' ' ' THR . 0.1 OUTLIER -128.43 109.84 11.77 Favored 'General case' 0 C--N 1.312 -1.049 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.246 179.63 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.15 -175.05 4.38 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.25 -179.733 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.459 ' CE1' HD11 ' A' ' 41' ' ' ILE . 3.7 m-85 -88.93 125.71 35.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.955 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.77 HD23 ' HB3' ' A' ' 104' ' ' PHE . 7.6 mp -115.6 162.97 16.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.449 179.666 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.494 HD23 ' HB2' ' A' ' 22' ' ' TRP . 1.1 mp -98.66 141.8 31.02 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.227 179.296 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.446 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.0 OUTLIER -129.37 107.53 9.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.821 0.343 . . . . 0.0 111.097 -179.669 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.422 ' HB3' ' CE2' ' A' ' 22' ' ' TRP . 3.7 ptt180 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.106 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.407 ' HD3' ' CZ2' ' A' ' 22' ' ' TRP . 5.2 mttt . . . . . 0 C--O 1.232 0.14 0 CA-C-O 121.058 0.456 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -164.32 98.48 0.82 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.821 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.494 ' HB2' HD23 ' A' ' 11' ' ' LEU . 3.3 m95 -93.65 131.5 38.89 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.35 -178.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.97 155.49 18.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.392 179.612 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.1 mmtp -63.09 121.3 13.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.982 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.427 ' CD ' ' HA ' ' A' ' 39' ' ' PRO . 17.7 mmtm -122.95 174.39 7.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.77 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.469 ' CD1' ' HB2' ' A' ' 44' ' ' TYR . 54.5 t80 -130.3 114.93 16.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.386 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.65 HG21 HD22 ' A' ' 10' ' ' LEU . 1.7 t -121.82 146.35 27.06 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.259 0 CA-C-O 121.047 0.451 . . . . 0.0 111.97 -179.442 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.779 HG23 ' HB2' ' A' ' 7' ' ' GLN . 86.9 m -138.75 111.45 7.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.641 177.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.799 HD12 ' OE1' ' A' ' 122' ' ' GLN . 0.2 OUTLIER -89.31 116.39 27.5 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 178.553 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.6 p -100.19 158.95 15.49 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.928 0.394 . . . . 0.0 111.542 -178.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.7 p -77.55 -0.03 24.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.089 179.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -90.41 26.16 2.04 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-O 120.832 0.348 . . . . 0.0 111.286 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 55.59 42.26 83.94 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.484 -0.865 . . . . 0.0 111.262 -179.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.426 ' CE2' ' HB2' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -137.35 129.77 29.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.935 0.397 . . . . 0.0 111.443 -179.078 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 1.066 HD23 HG21 ' A' ' 94' ' ' ILE . 2.8 tp -109.48 116.94 32.73 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.659 179.079 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.453 ' N ' HD12 ' A' ' 35' ' ' LEU . 0.5 OUTLIER -113.99 144.93 42.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.98 0.419 . . . . 0.0 111.566 -179.215 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.434 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -154.32 134.69 13.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.507 179.442 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.497 ' CD2' ' HA2' ' A' ' 50' ' ' GLY . 0.1 OUTLIER -123.01 159.26 54.75 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.894 -179.276 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.427 ' HA ' ' CD ' ' A' ' 25' ' ' LYS . 75.8 Cg_exo -50.23 -30.41 25.85 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.776 2.317 . . . . 0.0 112.548 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -172.47 -175.18 1.31 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.063 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.897 HG22 HD12 ' A' ' 45' ' ' ILE . 3.4 mp -62.29 -44.49 99.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.019 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.49 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 1.2 m120 -51.82 -29.39 19.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.262 0.553 . . . . 0.0 109.996 179.372 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.437 ' O ' ' HA ' ' A' ' 47' ' ' SER . 1.8 m-20 -76.98 -37.24 55.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.828 179.429 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.469 ' HB2' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -71.58 -51.37 23.72 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.283 0.563 . . . . 0.0 110.288 179.466 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.897 HD12 HG22 ' A' ' 41' ' ' ILE . 15.1 mt -60.29 -61.73 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.097 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.49 ' CD2' ' O ' ' A' ' 42' ' ' ASN . 13.0 m-70 -73.52 -24.6 60.17 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.786 -1.097 . . . . 0.0 112.221 -178.637 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.437 ' HA ' ' O ' ' A' ' 43' ' ' ASP . 4.2 t 76.1 73.16 0.08 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.885 0.374 . . . . 0.0 111.297 179.528 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 49.3 p -118.39 116.56 26.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.92 179.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 76.39 -60.04 0.49 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.516 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.497 ' HA2' ' CD2' ' A' ' 38' ' ' HIS . . . 45.66 90.32 0.01 OUTLIER Glycine 0 N--CA 1.453 -0.181 0 CA-C-N 115.578 -0.737 . . . . 0.0 113.062 179.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.9 133.21 35.3 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.724 0.297 . . . . 0.0 110.785 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.426 ' HB2' ' CE2' ' A' ' 34' ' ' PHE . 5.7 pt-20 -132.93 133.28 43.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.108 0.48 . . . . 0.0 110.916 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.548 ' CE ' ' CG ' ' A' ' 102' ' ' TRP . 0.5 OUTLIER -117.42 119.85 36.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.466 -179.742 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.447 ' O ' HG23 ' A' ' 58' ' ' THR . 2.6 m-20 -62.15 127.82 33.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.542 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.554 HD22 ' HB2' ' A' ' 122' ' ' GLN . 0.4 OUTLIER -97.28 40.33 1.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.437 -179.544 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.36 -46.24 12.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.817 0.341 . . . . 0.0 110.948 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.405 ' HB3' ' NH1' ' A' ' 57' ' ' ARG . 4.1 mmm180 -139.72 36.14 2.0 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.728 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.7 HG22 ' HA ' ' A' ' 96' ' ' SER . 0.9 OUTLIER -77.03 157.15 31.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.142 -179.775 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.02 150.5 42.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.401 179.443 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.466 HG11 HG13 ' A' ' 116' ' ' VAL . 21.2 t . . . . . 0 C--N 1.327 -0.411 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.167 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.451 ' CD2' ' HG2' ' A' ' 112' ' ' ARG . 3.0 m-85 . . . . . 0 CA--C 1.528 0.13 0 CA-C-O 120.824 0.345 . . . . 0.0 111.066 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -144.91 132.4 20.84 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.606 ' CE2' HD11 ' A' ' 94' ' ' ILE . 6.9 p90 -122.0 162.45 21.11 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.962 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -123.77 149.58 45.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.983 0.42 . . . . 0.0 111.541 -179.593 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 1.066 HG21 HD23 ' A' ' 35' ' ' LEU . 9.2 mm -120.55 108.68 23.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.378 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.798 HG22 HG23 ' A' ' 101' ' ' THR . 87.6 t -101.21 130.47 50.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.031 0.444 . . . . 0.0 111.629 -179.608 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.7 ' HA ' HG22 ' A' ' 58' ' ' THR . 0.2 OUTLIER -95.64 -174.06 3.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.258 179.105 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.5 t -82.96 -16.74 46.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.413 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.1 t -102.12 23.87 10.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.896 0.379 . . . . 0.0 111.144 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 82.85 -19.85 10.89 Favored Glycine 0 CA--C 1.52 0.389 0 C-N-CA 120.708 -0.758 . . . . 0.0 113.308 179.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -48.57 123.56 6.91 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 117.15 0.475 . . . . 0.0 110.749 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.798 HG23 HG22 ' A' ' 95' ' ' VAL . 1.3 m -125.36 114.56 19.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.027 0.442 . . . . 0.0 111.887 -179.386 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.67 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 33.7 m0 -97.79 106.95 19.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.182 178.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.494 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.8 OUTLIER -97.09 116.54 29.47 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.523 179.255 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.77 ' HB3' HD23 ' A' ' 10' ' ' LEU . 17.9 m-85 -123.72 164.74 18.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.372 0.606 . . . . 0.0 111.896 -179.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.467 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 36.4 tt0 -129.8 106.56 8.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.153 -0.931 . . . . 0.0 109.722 178.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.653 ' HB3' ' HB2' ' A' ' 112' ' ' ARG . . . -52.39 127.56 22.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.736 -179.225 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.85 -29.19 70.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.554 179.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -125.8 146.86 49.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.38 179.636 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -62.3 -34.27 76.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.155 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.12 -43.71 70.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.126 0.489 . . . . 0.0 110.353 179.558 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.15 -31.54 72.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.618 179.534 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.653 ' HB2' ' HB3' ' A' ' 106' ' ' ALA . 7.1 tpt180 -55.97 -45.19 78.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.909 -179.651 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -74.35 -42.86 58.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.648 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -55.23 -51.42 66.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.869 0.366 . . . . 0.0 110.235 179.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.755 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 51.4 m95 -56.49 -56.98 14.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.655 178.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.466 HG13 HG11 ' A' ' 60' ' ' VAL . 55.9 t -53.24 -35.51 23.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-O 120.85 0.357 . . . . 0.0 110.236 179.466 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.87 -31.87 61.73 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.735 178.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.475 ' HB2' HG22 ' A' ' 5' ' ' ILE . . . -69.63 -35.24 75.05 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.324 179.273 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.615 ' CD1' HD21 ' A' ' 29' ' ' LEU . 4.7 mm -68.33 -52.13 40.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.417 179.521 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.669 ' HA ' HD12 ' A' ' 123' ' ' ILE . 37.7 mt-10 -67.83 -32.76 73.52 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.29 179.371 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 40.8 t -67.85 -38.6 83.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.263 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.799 ' OE1' HD12 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -69.77 -32.63 71.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.257 179.456 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.669 HD12 ' HA ' ' A' ' 120' ' ' GLU . 14.6 mt -74.09 -36.39 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.811 179.609 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.408 HD23 ' O ' ' A' ' 124' ' ' LEU . 2.5 tt -68.62 -35.56 77.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.609 179.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.39 -32.25 58.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.974 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.425 ' O ' HD12 ' A' ' 5' ' ' ILE . 3.1 mp . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.462 0.172 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 14.9 Cg_exo -68.6 127.82 16.14 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.614 2.209 . . . . 0.0 112.502 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.506 ' N ' HD12 ' A' ' 5' ' ' ILE . 1.7 mp -94.02 -20.06 6.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.937 179.376 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.605 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 2.6 tptt -175.39 110.31 0.11 Allowed 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 179.019 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.83 ' HB3' HG23 ' A' ' 28' ' ' THR . 22.8 pt20 -130.65 108.72 10.11 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-O 120.898 0.38 . . . . 0.0 110.508 179.432 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.0 m -162.18 -175.14 4.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.154 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.542 ' CD1' HD11 ' A' ' 41' ' ' ILE . 1.1 m-85 -85.1 136.16 33.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.116 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.792 HD23 ' HB3' ' A' ' 104' ' ' PHE . 6.0 mp -128.12 153.53 46.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.35 179.595 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.446 ' CB ' ' HB3' ' A' ' 105' ' ' GLU . 1.2 mp -89.93 135.93 33.34 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 179.288 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.428 ' HB2' ' HG3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -124.72 119.39 28.82 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.846 0.355 . . . . 0.0 111.238 -179.724 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.407 ' CG ' ' HG2' ' A' ' 20' ' ' LYS . 4.7 ttp180 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.252 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.407 ' HG2' ' CG ' ' A' ' 13' ' ' ARG . 2.3 mttt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.929 0.395 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -166.97 99.72 0.54 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.787 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.487 ' CZ3' ' HB2' ' A' ' 105' ' ' GLU . 4.1 m95 -93.06 139.47 30.51 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.508 -178.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.6 161.61 15.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.348 179.545 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.82 108.94 7.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.042 0.449 . . . . 0.0 111.156 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.449 ' CD ' ' HA ' ' A' ' 39' ' ' PRO . 3.6 mmmt -108.13 -179.08 3.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.491 179.576 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.475 ' CD1' ' HB2' ' A' ' 44' ' ' TYR . 55.5 t80 -136.05 114.63 11.85 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.223 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.638 HG21 HD22 ' A' ' 10' ' ' LEU . 1.6 t -119.05 145.26 25.39 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.392 0 CA-C-O 120.995 0.426 . . . . 0.0 111.78 -179.404 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.83 HG23 ' HB3' ' A' ' 7' ' ' GLN . 95.2 m -138.74 111.14 7.47 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.934 177.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.78 ' CD2' HD13 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -89.2 114.93 26.3 Favored 'General case' 0 N--CA 1.444 -0.741 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 177.928 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.4 ' C ' HD13 ' A' ' 5' ' ' ILE . 26.7 t -102.35 164.56 11.61 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.988 0.423 . . . . 0.0 111.532 -178.485 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.492 ' HB2' HD11 ' A' ' 5' ' ' ILE . 5.5 t -80.29 2.98 22.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.113 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -92.84 26.0 2.93 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.043 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 53.26 43.26 64.29 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.602 -0.809 . . . . 0.0 111.689 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.527 ' N ' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -139.58 123.65 17.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.026 0.441 . . . . 0.0 111.516 -179.496 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.861 HD23 HG21 ' A' ' 94' ' ' ILE . 2.6 tp -101.43 116.98 34.02 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.648 179.05 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.504 ' N ' HD12 ' A' ' 35' ' ' LEU . 0.5 OUTLIER -113.03 144.03 43.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.054 0.454 . . . . 0.0 111.725 -179.226 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.445 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -152.44 125.21 8.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.34 179.234 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.483 ' HB3' ' CB ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -116.28 161.57 30.73 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.675 -179.411 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.449 ' HA ' ' CD ' ' A' ' 25' ' ' LYS . 83.6 Cg_exo -47.64 -39.95 30.33 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.722 2.282 . . . . 0.0 112.989 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.3 p -166.61 -176.2 3.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.763 0.316 . . . . 0.0 111.116 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.74 HG22 HD12 ' A' ' 45' ' ' ILE . 3.4 mp -58.23 -44.17 87.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.11 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.521 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 30.3 m120 -51.81 -27.4 12.28 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.436 0.636 . . . . 0.0 109.923 179.127 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.791 ' HA ' HG23 ' A' ' 48' ' ' THR . 4.0 m-20 -76.95 -38.92 52.39 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.811 179.553 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.475 ' HB2' ' CD1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -72.47 -51.38 20.42 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 121.248 0.547 . . . . 0.0 110.008 179.46 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.74 HD12 HG22 ' A' ' 41' ' ' ILE . 19.4 mt -56.58 -61.3 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.965 179.61 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.521 ' CD2' ' O ' ' A' ' 42' ' ' ASN . 14.4 m-70 -73.72 -25.69 60.33 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.743 -178.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 75.02 72.12 0.09 Allowed 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 178.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.791 HG23 ' HA ' ' A' ' 43' ' ' ASP . 27.6 p -86.59 -152.91 0.19 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 178.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -38.79 -56.37 1.36 Allowed 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.919 0.39 . . . . 0.0 111.375 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.471 ' HA2' ' CD2' ' A' ' 38' ' ' HIS . . . 59.15 99.15 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.713 179.55 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.406 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -80.42 137.78 36.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.771 0.32 . . . . 0.0 110.923 179.775 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -131.95 133.31 44.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.835 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.541 ' CE ' ' CG ' ' A' ' 102' ' ' TRP . 0.5 OUTLIER -117.28 119.32 34.81 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.525 -179.85 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -55.89 129.78 40.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.501 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.787 HD13 ' CB ' ' A' ' 122' ' ' GLN . 44.6 mt -94.91 30.55 2.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.474 -179.421 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.13 -59.27 2.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.835 0.35 . . . . 0.0 110.586 179.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.42 55.02 1.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.133 0.492 . . . . 0.0 110.408 179.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.422 ' OG1' ' HA ' ' A' ' 55' ' ' LEU . 0.1 OUTLIER -100.9 162.21 13.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.175 -179.725 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -133.01 160.64 36.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.526 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.765 HG11 HG13 ' A' ' 116' ' ' VAL . 21.7 t . . . . . 0 C--N 1.325 -0.461 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.579 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.712 ' HD2' ' HB3' ' A' ' 106' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.824 0.345 . . . . 0.0 110.878 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -150.19 130.69 13.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.65 -179.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.658 ' CE1' HD11 ' A' ' 94' ' ' ILE . 12.7 p90 -121.08 147.89 44.92 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.806 0.336 . . . . 0.0 111.368 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.409 HD23 ' HB2' ' A' ' 103' ' ' HIS . 2.7 mt -111.0 143.47 41.64 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.465 -179.418 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.861 HG21 HD23 ' A' ' 35' ' ' LEU . 11.1 mm -114.55 108.71 26.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.229 179.588 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.422 HG22 HG23 ' A' ' 101' ' ' THR . 91.4 t -103.08 128.36 56.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.972 0.415 . . . . 0.0 111.845 -179.351 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.84 -174.05 3.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.093 179.067 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.6 m -88.28 0.01 56.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.549 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.5 t -114.81 23.01 12.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.89 0.376 . . . . 0.0 110.83 179.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 82.52 -20.57 8.73 Favored Glycine 0 CA--C 1.52 0.345 0 C-N-CA 120.723 -0.751 . . . . 0.0 113.31 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -53.4 126.81 22.61 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.977 0.389 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.446 ' HA ' ' O ' ' A' ' 94' ' ' ILE . 10.7 m -127.36 114.69 17.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.507 -179.67 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.676 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 37.3 m0 -95.32 105.8 17.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.362 179.212 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.458 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.9 OUTLIER -94.17 116.42 28.83 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.959 179.601 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.792 ' HB3' HD23 ' A' ' 10' ' ' LEU . 16.9 m-85 -126.62 153.82 44.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.274 0.559 . . . . 0.0 111.591 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.487 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 50.2 tt0 -116.07 108.77 16.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.602 178.643 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.712 ' HB3' ' HD2' ' A' ' 90' ' ' PHE . . . -53.45 125.05 16.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.88 -179.011 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -71.83 -31.7 66.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.234 179.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -120.52 136.13 54.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.27 179.502 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.542 ' CE1' ' CD1' ' A' ' 90' ' ' PHE . 0.8 OUTLIER -55.05 -51.92 64.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.289 -179.442 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.77 -39.62 85.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.994 0.426 . . . . 0.0 110.675 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.445 ' HG2' ' CD1' ' A' ' 115' ' ' TRP . 2.2 tt0 -65.46 -33.09 75.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.861 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.57 -49.69 74.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.129 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -68.67 -39.16 80.75 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.504 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 118' ' ' ALA . . . -58.74 -50.03 75.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.281 179.38 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.721 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 55.1 m95 -58.64 -54.76 43.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 178.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.765 HG13 HG11 ' A' ' 60' ' ' VAL . 53.3 t -55.02 -35.94 36.68 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.476 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -78.42 -28.14 46.73 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.297 178.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 114' ' ' ALA . . . -67.98 -51.77 43.53 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.298 179.443 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.687 HG13 HD21 ' A' ' 29' ' ' LEU . 3.6 mp -61.46 -46.12 97.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.189 179.327 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.97 -32.66 74.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.973 0.416 . . . . 0.0 110.331 179.281 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 30.7 t -70.31 -45.03 67.09 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.772 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.787 ' CB ' HD13 ' A' ' 55' ' ' LEU . 1.4 mp0 -64.18 -31.41 72.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.436 179.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.448 ' HA ' ' O ' ' A' ' 55' ' ' LEU . 34.8 mt -73.55 -36.25 47.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.925 179.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 1.5 mp -68.79 -36.35 78.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.703 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.34 -31.23 58.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.047 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.422 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 3.8 mt . . . . . 0 C--O 1.233 0.221 0 CA-C-O 120.53 0.205 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 25.2 Cg_exo -62.26 128.06 22.81 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.386 2.057 . . . . 0.0 112.347 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.435 HG22 ' HB2' ' A' ' 118' ' ' ALA . 40.9 mm -93.84 -19.58 6.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.095 179.694 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.61 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 0.2 OUTLIER 177.08 110.71 0.02 OUTLIER 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 179.086 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.752 ' HB2' HG23 ' A' ' 28' ' ' THR . 20.8 tt0 -129.64 117.0 19.68 Favored 'General case' 0 C--N 1.311 -1.072 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.332 179.537 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 99.0 p -172.29 -175.13 1.35 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.007 0.432 . . . . 0.0 111.193 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.472 ' CE1' HD11 ' A' ' 41' ' ' ILE . 6.6 m-85 -84.64 134.92 34.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.053 -179.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.816 HD23 ' HB3' ' A' ' 104' ' ' PHE . 6.5 mp -126.84 151.51 48.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.651 179.745 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.641 HD22 ' OE1' ' A' ' 105' ' ' GLU . 1.1 mp -86.49 139.46 30.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.482 179.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.447 ' HB3' ' HD2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -130.16 108.53 10.12 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.326 -179.792 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.436 ' HB3' ' CE2' ' A' ' 22' ' ' TRP . 3.5 ptt85 . . . . . 0 C--N 1.332 -0.19 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.417 ' HD3' ' CZ2' ' A' ' 22' ' ' TRP . 10.1 mttt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 121.002 0.429 . . . . 0.0 111.157 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -164.33 98.66 0.82 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.808 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.501 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 4.1 m95 -92.98 134.76 34.79 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.546 -178.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.28 153.56 24.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.109 179.444 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.1 119.56 9.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.019 0.437 . . . . 0.0 110.932 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.447 ' HD2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -117.65 -177.32 3.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.542 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.533 ' CE1' ' CG ' ' A' ' 44' ' ' TYR . 39.2 t80 -138.84 115.1 10.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.346 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.687 HG21 HD22 ' A' ' 10' ' ' LEU . 1.8 t -121.88 147.32 25.97 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.3 0 CA-C-O 120.954 0.407 . . . . 0.0 111.764 -179.274 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.752 HG23 ' HB2' ' A' ' 7' ' ' GLN . 90.4 m -138.68 110.39 7.12 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.08 177.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.731 HD21 HG13 ' A' ' 119' ' ' ILE . 0.2 OUTLIER -89.53 115.27 26.82 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 177.606 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 26.6 t -105.48 161.22 14.52 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.022 0.439 . . . . 0.0 111.32 -178.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.1 t -76.07 2.1 13.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.195 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -91.08 26.06 2.27 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.745 0.307 . . . . 0.0 111.132 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 52.43 40.67 54.36 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.695 -0.764 . . . . 0.0 111.799 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.481 ' N ' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -138.27 123.5 19.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.067 0.461 . . . . 0.0 111.339 -179.537 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.913 HD23 HG21 ' A' ' 94' ' ' ILE . 2.0 tp -101.25 116.98 34.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.727 179.215 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.538 ' N ' HD12 ' A' ' 35' ' ' LEU . 1.0 OUTLIER -112.3 148.51 34.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.014 0.435 . . . . 0.0 111.585 -179.297 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.513 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -158.83 132.23 7.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.662 179.383 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.496 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 0.1 OUTLIER -120.09 162.99 30.71 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.27 -179.539 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.496 ' HD2' ' HB3' ' A' ' 38' ' ' HIS . 42.7 Cg_endo -68.65 -28.26 31.34 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.299 2.0 . . . . 0.0 112.73 -179.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 74.4 m -154.34 163.02 40.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.719 0.295 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.756 HG22 HD12 ' A' ' 45' ' ' ILE . 2.6 mp -56.23 -39.24 58.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.639 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.498 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 33.1 m-80 -53.03 -28.54 24.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.296 0.57 . . . . 0.0 109.942 179.051 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.461 ' CB ' ' HB3' ' A' ' 38' ' ' HIS . 1.4 m-20 -77.06 -37.49 54.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.684 179.545 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.533 ' CG ' ' CE1' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -71.27 -51.18 25.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.256 0.551 . . . . 0.0 110.201 179.534 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.756 HD12 HG22 ' A' ' 41' ' ' ILE . 24.0 mt -60.05 -62.14 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.169 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.498 ' CD2' ' O ' ' A' ' 42' ' ' ASN . 12.7 m-70 -73.54 -24.55 60.14 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.69 -1.141 . . . . 0.0 112.182 -178.565 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.443 ' HA ' ' O ' ' A' ' 43' ' ' ASP . 1.5 m 76.42 73.45 0.08 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.895 0.379 . . . . 0.0 111.299 179.541 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.461 ' O ' ' HB2' ' A' ' 49' ' ' HIS . 44.1 p -120.27 117.74 28.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.618 179.461 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.461 ' HB2' ' O ' ' A' ' 48' ' ' THR . 12.6 m170 71.42 -61.15 0.49 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.23 -179.226 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.459 ' HA2' ' CD2' ' A' ' 38' ' ' HIS . . . 41.5 88.23 0.01 OUTLIER Glycine 0 N--CA 1.454 -0.103 0 CA-C-N 115.505 -0.77 . . . . 0.0 113.091 179.421 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.453 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -68.86 135.79 51.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.782 0.325 . . . . 0.0 110.644 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.503 ' HG3' HD23 ' A' ' 36' ' ' LEU . 1.9 mt-10 -131.82 133.19 44.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.546 ' HE2' ' CE2' ' A' ' 102' ' ' TRP . 0.5 OUTLIER -118.11 118.14 31.09 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.438 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -56.99 131.57 50.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.518 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.666 ' CD2' HG23 ' A' ' 119' ' ' ILE . 1.1 mt -95.99 27.55 3.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.55 -179.251 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.0 mt -83.16 -54.57 4.93 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.783 0.325 . . . . 0.0 110.746 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.29 57.0 1.42 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.655 179.73 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.574 HG22 ' O ' ' A' ' 95' ' ' VAL . 0.4 OUTLIER -105.73 162.07 13.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.037 -179.886 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.91 153.11 50.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.745 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.679 HG11 HG13 ' A' ' 116' ' ' VAL . 15.8 t . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.801 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.579 ' CD1' ' CE1' ' A' ' 109' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 121.116 0.484 . . . . 0.0 111.315 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -140.93 129.88 23.18 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.946 179.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.619 ' CE2' HD11 ' A' ' 94' ' ' ILE . 8.2 p90 -124.97 144.8 50.18 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.964 0.412 . . . . 0.0 111.548 -179.193 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.47 HD23 ' HB2' ' A' ' 103' ' ' HIS . 0.7 OUTLIER -109.29 142.44 40.17 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.972 179.906 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.913 HG21 HD23 ' A' ' 35' ' ' LEU . 14.2 mm -110.89 108.49 25.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.355 179.469 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.846 HG22 HG23 ' A' ' 101' ' ' THR . 69.0 t -100.19 131.63 47.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.965 0.412 . . . . 0.0 111.439 -179.587 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.459 ' HA ' HG22 ' A' ' 58' ' ' THR . 0.1 OUTLIER -98.1 -174.04 2.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.161 179.323 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.9 t -83.84 -16.49 44.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.401 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.8 t -102.18 23.46 11.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.862 0.363 . . . . 0.0 111.201 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 82.06 -19.77 9.47 Favored Glycine 0 CA--C 1.52 0.382 0 C-N-CA 120.651 -0.785 . . . . 0.0 113.409 179.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.52 119.99 4.69 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 117.038 0.419 . . . . 0.0 110.74 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.846 HG23 HG22 ' A' ' 95' ' ' VAL . 0.8 OUTLIER -121.69 114.86 21.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.968 0.413 . . . . 0.0 111.754 -179.256 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.662 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 33.3 m0 -97.18 105.48 17.63 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.027 178.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.501 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.8 OUTLIER -95.03 116.4 28.65 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.696 179.539 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.816 ' HB3' HD23 ' A' ' 10' ' ' LEU . 18.6 m-85 -124.84 160.67 28.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.335 0.588 . . . . 0.0 111.811 -179.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.641 ' OE1' HD22 ' A' ' 11' ' ' LEU . 0.7 OUTLIER -125.86 108.61 11.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.644 178.79 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.66 ' HB3' ' HB3' ' A' ' 112' ' ' ARG . . . -53.87 121.17 7.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.572 -179.229 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.21 -34.23 73.36 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.46 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.6 p -117.67 149.31 40.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.424 179.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.579 ' CE1' ' CD1' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -62.85 -29.37 70.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.192 -179.582 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -74.17 -32.75 63.22 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.001 0.429 . . . . 0.0 110.967 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.29 -34.77 65.93 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.165 -179.038 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.732 ' O ' HG23 ' A' ' 116' ' ' VAL . 2.3 ppt_? -56.53 -44.44 80.81 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.0 -179.235 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -74.83 -49.66 19.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.786 0.327 . . . . 0.0 110.865 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.438 ' HB1' ' HD3' ' A' ' 6' ' ' LYS . . . -52.56 -52.64 54.01 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.556 179.699 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.706 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 53.9 m95 -56.54 -53.33 58.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.942 179.034 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 112' ' ' ARG . 83.4 t -55.53 -35.03 36.56 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-O 120.952 0.406 . . . . 0.0 110.259 179.581 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -79.16 -29.19 42.9 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.589 179.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.435 ' HB2' HG22 ' A' ' 5' ' ' ILE . . . -66.62 -50.72 62.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.058 0.456 . . . . 0.0 110.484 179.583 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.731 HG13 HD21 ' A' ' 29' ' ' LEU . 3.9 mp -64.17 -46.95 92.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.076 179.3 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.439 ' HA ' HD12 ' A' ' 123' ' ' ILE . 2.3 mm-40 -64.87 -32.64 74.44 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.887 0.375 . . . . 0.0 110.288 179.118 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.1 m -69.31 -47.91 63.09 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.647 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.579 ' OE1' HD12 ' A' ' 29' ' ' LEU . 3.0 mp0 -60.81 -32.77 72.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.496 179.658 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.467 ' HA ' ' O ' ' A' ' 55' ' ' LEU . 33.0 mt -72.7 -36.3 52.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.869 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 40.2 tp -68.7 -37.2 79.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.734 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.34 -29.0 57.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.045 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.331 -0.207 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.993 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.41 ' O ' ' HB2' ' A' ' 31' ' ' SER . 20.1 mm . . . . . 0 N--CA 1.455 -0.179 0 CA-C-O 120.543 0.211 . . . . 0.0 110.813 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 38.9 Cg_exo -56.88 125.64 19.66 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.279 1.986 . . . . 0.0 112.409 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.453 HG22 ' HB2' ' A' ' 118' ' ' ALA . 43.3 mm -93.11 -20.7 6.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.273 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.622 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 0.3 OUTLIER 179.08 110.45 0.03 OUTLIER 'General case' 0 C--O 1.218 -0.59 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.081 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.785 ' HB3' HG23 ' A' ' 28' ' ' THR . 8.2 pt20 -129.82 108.91 10.51 Favored 'General case' 0 C--N 1.312 -1.022 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.504 179.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.1 m -163.63 -175.15 4.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.288 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.47 ' CE1' HD11 ' A' ' 41' ' ' ILE . 2.5 m-85 -83.23 140.3 32.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.021 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.8 HD23 ' HB3' ' A' ' 104' ' ' PHE . 5.5 mp -133.5 156.6 47.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.543 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.433 ' CD2' ' HB2' ' A' ' 22' ' ' TRP . 1.3 tp -93.83 130.66 39.77 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 179.11 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.416 ' CB ' ' HG3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -116.19 118.76 33.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.001 0.429 . . . . 0.0 111.395 -179.436 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.412 ' CG ' ' HG2' ' A' ' 20' ' ' LYS . 12.7 ttp180 . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.039 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.412 ' HG2' ' CG ' ' A' ' 13' ' ' ARG . 0.7 OUTLIER . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 121.061 0.458 . . . . 0.0 111.215 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -170.59 100.37 0.25 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.899 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.532 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 3.4 m95 -97.58 148.69 23.02 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.325 -179.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.28 158.99 28.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.584 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt -67.54 123.41 20.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.984 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.416 ' HG3' ' CB ' ' A' ' 12' ' ' LYS . 3.6 mttp -124.96 -177.47 3.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.754 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.496 ' CE1' ' CG ' ' A' ' 44' ' ' TYR . 43.7 t80 -137.83 114.78 10.74 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.075 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.661 HG21 HD22 ' A' ' 10' ' ' LEU . 1.7 t -119.66 146.54 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.971 0.415 . . . . 0.0 111.74 -179.307 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.785 HG23 ' HB3' ' A' ' 7' ' ' GLN . 89.7 m -138.71 110.82 7.31 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.054 177.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.822 ' CD2' HD13 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -90.24 116.09 27.96 Favored 'General case' 0 N--CA 1.444 -0.725 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 177.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.2 t -105.43 159.55 15.83 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.034 0.445 . . . . 0.0 111.223 -178.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.41 ' HB2' ' O ' ' A' ' 3' ' ' ILE . 1.3 t -74.6 1.99 10.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.224 179.684 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 35.4 p30 -90.27 26.01 2.04 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-O 120.836 0.35 . . . . 0.0 111.245 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 53.73 40.6 64.24 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.609 -0.805 . . . . 0.0 111.819 -179.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.541 ' N ' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -137.95 126.14 23.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.974 0.416 . . . . 0.0 111.572 -179.449 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.899 HD23 HG21 ' A' ' 94' ' ' ILE . 3.5 tp -104.31 116.98 33.11 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.636 179.261 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.783 HD23 ' CG ' ' A' ' 52' ' ' GLU . 0.4 OUTLIER -114.2 147.46 38.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.976 0.417 . . . . 0.0 111.843 -179.055 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.453 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.3 OUTLIER -154.94 125.09 6.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.37 179.022 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.475 ' HB3' ' CB ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -115.3 162.02 26.71 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.748 -179.401 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.422 ' HD2' ' HB3' ' A' ' 38' ' ' HIS . 79.8 Cg_exo -48.12 -48.3 16.97 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.71 2.273 . . . . 0.0 112.751 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.0 m -154.15 -171.11 3.76 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.805 0.336 . . . . 0.0 111.171 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.679 HG22 HD12 ' A' ' 45' ' ' ILE . 3.3 mp -64.02 -43.0 97.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.011 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.513 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 3.4 m-20 -51.87 -26.91 11.12 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.367 0.603 . . . . 0.0 110.134 179.267 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.74 ' HA ' HG23 ' A' ' 48' ' ' THR . 4.1 m-20 -76.84 -40.89 46.26 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.795 179.569 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.496 ' CG ' ' CE1' ' A' ' 26' ' ' TYR . 0.3 OUTLIER -71.12 -51.24 26.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.244 0.545 . . . . 0.0 110.036 179.41 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.679 HD12 HG22 ' A' ' 41' ' ' ILE . 24.4 mt -56.28 -61.94 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.022 179.587 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.513 ' CD2' ' O ' ' A' ' 42' ' ' ASN . 15.6 m-70 -73.51 -24.86 60.21 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.856 -1.065 . . . . 0.0 111.776 -178.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.8 m 74.73 71.77 0.1 Allowed 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 178.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.74 HG23 ' HA ' ' A' ' 43' ' ' ASP . 30.7 p -87.01 -153.53 0.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.758 178.716 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -39.21 -56.35 1.52 Allowed 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.978 0.418 . . . . 0.0 111.283 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.462 ' HA2' ' CD2' ' A' ' 38' ' ' HIS . . . 57.8 98.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 121.035 -0.602 . . . . 0.0 112.824 179.391 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.428 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . 1.7 mmtm -74.78 138.62 42.77 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.743 0.306 . . . . 0.0 110.783 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.783 ' CG ' HD23 ' A' ' 36' ' ' LEU . 3.9 mt-10 -132.83 133.13 42.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.016 0.436 . . . . 0.0 110.656 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.572 ' CE ' ' CG ' ' A' ' 102' ' ' TRP . 0.4 OUTLIER -119.04 121.04 38.96 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.398 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -57.0 131.13 48.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.564 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.847 HD13 ' CB ' ' A' ' 122' ' ' GLN . 24.7 mt -95.57 22.8 6.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.548 -179.619 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.08 -57.32 3.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.828 0.347 . . . . 0.0 110.729 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.81 59.1 0.88 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.532 179.685 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.58 HG22 ' O ' ' A' ' 95' ' ' VAL . 0.3 OUTLIER -113.82 161.97 16.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.42 -179.526 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -129.33 152.29 49.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.01 179.475 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.406 ' HA ' ' O ' ' A' ' 93' ' ' LEU . 14.9 p . . . . . 0 C--N 1.326 -0.423 0 CA-C-O 120.756 0.312 . . . . 0.0 111.058 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.579 ' N ' ' CD1' ' A' ' 90' ' ' PHE . 0.1 OUTLIER . . . . . 0 CA--C 1.528 0.106 0 CA-C-O 120.915 0.388 . . . . 0.0 111.017 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -141.53 132.76 26.44 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.532 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.615 ' CE1' HD11 ' A' ' 94' ' ' ILE . 20.3 p90 -122.47 156.02 34.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.816 0.341 . . . . 0.0 111.269 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.406 ' O ' ' HA ' ' A' ' 60' ' ' VAL . 0.6 OUTLIER -119.04 149.54 41.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.298 -179.593 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.899 HG21 HD23 ' A' ' 35' ' ' LEU . 8.0 mm -122.45 108.72 22.29 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.194 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.227 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.941 HG22 HG23 ' A' ' 101' ' ' THR . 58.2 t -102.54 132.71 48.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.107 0.48 . . . . 0.0 112.215 -179.143 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.501 ' HA ' HG22 ' A' ' 58' ' ' THR . 44.2 t -94.21 -174.1 3.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.235 179.029 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 56.0 p -85.83 -11.04 54.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.355 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.0 t -105.33 23.39 13.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.909 0.385 . . . . 0.0 111.171 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 83.99 -21.17 10.2 Favored Glycine 0 CA--C 1.52 0.388 0 C-N-CA 120.742 -0.742 . . . . 0.0 113.401 179.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.31 128.72 23.11 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 117.001 0.401 . . . . 0.0 110.836 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.941 HG23 HG22 ' A' ' 95' ' ' VAL . 1.8 m -130.36 114.81 16.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.95 0.405 . . . . 0.0 111.79 -179.675 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.665 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 35.4 m0 -95.34 105.56 17.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.222 178.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.532 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.7 OUTLIER -96.78 116.17 28.69 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.491 179.169 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.8 ' HB3' HD23 ' A' ' 10' ' ' LEU . 19.4 m-85 -122.59 161.01 24.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.249 0.547 . . . . 0.0 111.739 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.459 ' HB2' ' CE3' ' A' ' 22' ' ' TRP . 0.1 OUTLIER -123.34 106.08 10.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.704 178.792 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.503 ' HB3' ' HB2' ' A' ' 112' ' ' ARG . . . -53.41 123.45 12.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.682 -179.195 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.26 -32.68 74.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.501 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.74 137.48 52.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.448 179.538 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.554 ' CE1' ' CD1' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -52.56 -47.8 66.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.257 -179.571 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.11 -36.96 85.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.031 0.444 . . . . 0.0 110.707 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.08 -36.69 77.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.03 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.503 ' HB2' ' HB3' ' A' ' 106' ' ' ALA . 2.9 tmm_? -56.86 -48.29 78.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.017 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.495 ' O ' HG12 ' A' ' 116' ' ' VAL . 4.6 m-20 -70.39 -27.56 64.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.905 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -70.97 -48.7 51.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.041 0.448 . . . . 0.0 109.803 179.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.738 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 60.1 m95 -62.25 -48.79 78.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.652 178.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.495 HG12 ' O ' ' A' ' 113' ' ' ASP . 3.3 p -57.2 -35.75 49.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 121.02 0.438 . . . . 0.0 110.017 179.391 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -79.48 -32.0 42.48 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.057 179.156 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.453 ' HB2' HG22 ' A' ' 5' ' ' ILE . . . -65.09 -50.66 65.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.319 179.335 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.668 HG13 HD21 ' A' ' 29' ' ' LEU . 2.7 mp -62.69 -48.37 88.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.205 179.28 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.489 ' HA ' HD12 ' A' ' 123' ' ' ILE . 5.7 mm-40 -65.04 -32.76 74.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.914 0.387 . . . . 0.0 110.261 179.312 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.9 m -66.47 -44.64 82.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.623 179.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.847 ' CB ' HD13 ' A' ' 55' ' ' LEU . 3.0 mp0 -65.05 -33.76 76.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.381 179.641 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.489 HD12 ' HA ' ' A' ' 120' ' ' GLU . 23.9 mt -73.95 -37.94 48.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.695 179.558 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 6.0 tp -68.73 -35.21 76.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.709 179.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -74.23 -35.29 63.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.923 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 27.4 m . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.836 179.812 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.4 ' O ' ' HB2' ' A' ' 31' ' ' SER . 20.2 mm . . . . . 0 N--CA 1.456 -0.127 0 CA-C-O 120.532 0.206 . . . . 0.0 110.811 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo -55.46 126.59 23.0 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.279 1.986 . . . . 0.0 112.37 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.423 ' CG2' ' HB1' ' A' ' 118' ' ' ALA . 36.4 mm -94.61 -20.1 6.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.329 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.611 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 2.3 tptt 178.37 110.74 0.03 OUTLIER 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 179.011 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.75 ' HB2' HG23 ' A' ' 28' ' ' THR . 0.5 OUTLIER -129.44 111.15 12.5 Favored 'General case' 0 C--N 1.313 -1.002 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.364 179.585 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.9 t -164.32 -175.18 3.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.276 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.556 ' CE1' HD11 ' A' ' 41' ' ' ILE . 3.8 m-85 -87.16 129.45 34.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.012 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.775 HD23 ' HB3' ' A' ' 104' ' ' PHE . 6.6 mp -120.77 157.92 28.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.572 179.419 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.452 HD23 ' HB2' ' A' ' 22' ' ' TRP . 1.4 tp -95.41 137.01 35.06 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 179.149 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.404 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.2 OUTLIER -127.75 117.22 21.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.846 0.355 . . . . 0.0 111.35 -179.514 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.8 ptt180 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.858 179.712 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.963 0.411 . . . . 0.0 111.198 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -164.78 97.91 0.76 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.8 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.533 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 2.3 m95 -98.0 141.83 30.47 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.318 -178.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.48 160.35 20.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.379 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.5 mmtp -63.03 120.13 10.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.772 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.425 ' HD2' ' HA ' ' A' ' 39' ' ' PRO . 2.7 tptt -120.14 175.87 5.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.072 -179.76 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.502 ' CE1' ' CG ' ' A' ' 44' ' ' TYR . 50.7 t80 -135.97 115.3 12.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.333 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.633 HG21 HD22 ' A' ' 10' ' ' LEU . 1.6 t -123.84 147.25 28.31 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.324 0 CA-C-O 121.008 0.432 . . . . 0.0 112.142 -179.14 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.75 HG23 ' HB2' ' A' ' 7' ' ' GLN . 87.0 m -138.76 110.54 7.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.974 177.574 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.797 HD12 ' OE1' ' A' ' 122' ' ' GLN . 0.2 OUTLIER -89.37 115.68 27.01 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 178.123 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.2 t -104.98 157.97 16.86 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.931 0.396 . . . . 0.0 111.021 -178.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.4 ' HB2' ' O ' ' A' ' 3' ' ' ILE . 1.5 t -73.74 1.1 11.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.302 179.664 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -88.85 26.21 1.59 Allowed 'General case' 0 CA--C 1.523 -0.094 0 CA-C-O 120.83 0.347 . . . . 0.0 111.427 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 52.81 39.28 55.36 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.591 -0.814 . . . . 0.0 111.686 -179.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.424 ' CA ' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -137.08 123.51 20.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.957 0.408 . . . . 0.0 111.263 -179.484 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.969 HD23 HG21 ' A' ' 94' ' ' ILE . 2.8 tp -102.46 117.01 33.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.721 179.157 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.889 HD23 ' HG2' ' A' ' 52' ' ' GLU . 0.4 OUTLIER -112.45 144.9 41.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.96 0.41 . . . . 0.0 111.615 -179.062 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.451 ' CE1' ' CB ' ' A' ' 51' ' ' LYS . 0.2 OUTLIER -153.49 131.81 12.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.451 179.389 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.489 ' CD2' ' HA2' ' A' ' 50' ' ' GLY . 0.2 OUTLIER -120.9 160.02 46.54 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.821 -179.3 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.425 ' HA ' ' HD2' ' A' ' 25' ' ' LYS . 73.0 Cg_exo -49.47 -30.11 20.11 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.729 2.286 . . . . 0.0 112.693 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -176.55 -174.66 0.59 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.815 0.34 . . . . 0.0 111.104 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.781 HG22 HD12 ' A' ' 45' ' ' ILE . 3.8 mp -59.16 -47.74 89.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.492 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 5.0 m-20 -51.78 -28.27 14.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.384 0.611 . . . . 0.0 110.197 179.305 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.424 ' HB2' ' CB ' ' A' ' 38' ' ' HIS . 3.7 m-20 -76.93 -40.31 47.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.751 179.59 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.502 ' CG ' ' CE1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -70.06 -51.26 33.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.18 0.514 . . . . 0.0 110.185 179.503 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.781 HD12 HG22 ' A' ' 41' ' ' ILE . 23.0 mt -58.74 -62.35 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.426 -0.807 . . . . 0.0 111.089 179.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.492 ' CD2' ' O ' ' A' ' 42' ' ' ASN . 14.5 m-70 -73.37 -24.58 60.34 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.827 -1.079 . . . . 0.0 112.29 -178.534 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 m 76.83 74.09 0.07 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.917 0.389 . . . . 0.0 111.188 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 43.2 p -120.69 118.83 31.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.925 179.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 77.87 -60.14 0.43 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.519 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.489 ' HA2' ' CD2' ' A' ' 38' ' ' HIS . . . 45.46 89.19 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.235 0 CA-C-N 115.644 -0.707 . . . . 0.0 113.112 179.66 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.451 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -87.12 131.11 34.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.868 0.366 . . . . 0.0 110.827 179.86 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.889 ' HG2' HD23 ' A' ' 36' ' ' LEU . 11.3 mt-10 -130.19 133.22 46.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.102 0.477 . . . . 0.0 110.926 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.531 ' CE ' ' CG ' ' A' ' 102' ' ' TRP . 0.4 OUTLIER -115.87 119.76 37.01 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.272 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -60.03 124.78 21.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.457 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.476 ' O ' ' HA ' ' A' ' 123' ' ' ILE . 0.8 OUTLIER -92.32 41.82 1.08 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.473 -179.556 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.4 tp -83.31 -61.61 1.8 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.787 0.327 . . . . 0.0 110.83 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 70.8 mtt180 -125.14 36.34 4.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.694 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.601 HG22 ' O ' ' A' ' 95' ' ' VAL . 0.7 OUTLIER -75.53 161.44 29.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.83 -179.915 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -130.09 151.64 50.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.502 179.73 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 5.2 m . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 179.923 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.49 ' CZ ' ' CD2' ' A' ' 109' ' ' PHE . 4.1 m-30 . . . . . 0 CA--C 1.528 0.108 0 CA-C-O 120.839 0.352 . . . . 0.0 111.202 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -139.86 129.89 24.94 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.708 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.599 ' CE1' HD11 ' A' ' 94' ' ' ILE . 36.1 p90 -122.95 156.82 33.95 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.858 0.361 . . . . 0.0 110.862 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.401 ' HG ' ' CG ' ' A' ' 103' ' ' HIS . 0.5 OUTLIER -119.18 142.79 47.66 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.353 -179.471 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.969 HG21 HD23 ' A' ' 35' ' ' LEU . 12.6 mm -113.82 108.66 26.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.323 179.675 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.617 HG22 HG23 ' A' ' 101' ' ' THR . 99.3 t -99.84 130.11 49.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.989 0.423 . . . . 0.0 111.727 -179.528 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.594 ' HA ' HG22 ' A' ' 58' ' ' THR . 0.3 OUTLIER -93.21 -174.2 3.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.24 179.273 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.7 t -83.95 -18.54 36.94 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.33 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.4 t -100.71 23.6 10.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.866 0.365 . . . . 0.0 111.133 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 84.68 -21.85 10.25 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 120.635 -0.793 . . . . 0.0 113.236 179.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -48.05 125.53 9.26 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.941 0.371 . . . . 0.0 110.859 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.617 HG23 HG22 ' A' ' 95' ' ' VAL . 3.0 m -127.52 114.76 17.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.961 0.41 . . . . 0.0 111.822 -179.406 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.652 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 34.6 m0 -96.69 105.39 17.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.167 178.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.533 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.7 OUTLIER -94.98 116.31 28.53 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.517 179.421 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.775 ' HB3' HD23 ' A' ' 10' ' ' LEU . 19.3 m-85 -122.98 165.97 15.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.297 0.57 . . . . 0.0 111.742 -179.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.419 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 34.2 tt0 -132.95 101.1 5.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.864 179.137 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.695 ' HB3' ' HB2' ' A' ' 112' ' ' ARG . . . -50.38 126.61 15.46 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.695 -179.248 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.64 -30.66 70.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.703 179.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.42 154.39 33.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.699 179.734 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.49 ' CD2' ' CZ ' ' A' ' 90' ' ' PHE . 4.2 m-85 -65.23 -55.19 19.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.056 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.49 -32.79 70.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.742 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.87 -39.23 87.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.695 ' HB2' ' HB3' ' A' ' 106' ' ' ALA . 0.2 OUTLIER -56.57 -49.31 75.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.04 -179.73 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -63.34 -45.83 89.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.654 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 118' ' ' ALA . . . -54.11 -51.67 63.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.857 0.361 . . . . 0.0 110.27 179.426 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.712 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 53.0 m95 -56.82 -54.66 43.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.93 178.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 112' ' ' ARG . 95.9 t -55.08 -35.64 35.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.966 0.412 . . . . 0.0 110.315 179.609 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.23 -27.96 42.48 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.375 179.109 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.423 ' HB1' ' CG2' ' A' ' 5' ' ' ILE . . . -72.88 -38.26 67.03 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.423 179.498 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.673 HG12 HD12 ' A' ' 94' ' ' ILE . 1.9 mp -70.07 -49.02 59.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.212 179.42 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.765 ' HA ' HD12 ' A' ' 123' ' ' ILE . 0.0 OUTLIER -66.82 -32.58 73.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.682 -0.236 . . . . 0.0 110.701 179.458 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 83.4 p -69.93 -38.83 76.32 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-O 120.882 0.372 . . . . 0.0 110.154 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.797 ' OE1' HD12 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -65.83 -33.11 75.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.059 0.457 . . . . 0.0 109.912 179.075 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.765 HD12 ' HA ' ' A' ' 120' ' ' GLU . 18.3 mt -72.25 -37.83 60.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.059 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.2 tp -68.38 -34.53 76.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.38 -35.14 58.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.071 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.898 -179.999 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 4.7 ttt85 . . . . . 0 N--CA 1.488 1.429 0 CA-C-O 120.813 0.339 . . . . 0.0 111.26 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.9 171.21 7.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.962 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.403 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 1.6 mp -130.42 131.59 23.47 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.122 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 37.6 Cg_exo -60.42 130.47 33.94 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.554 2.169 . . . . 0.0 112.249 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.432 HG22 ' HB2' ' A' ' 118' ' ' ALA . 29.4 mm -95.77 -19.83 6.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.142 179.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.614 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 0.0 OUTLIER 176.21 110.76 0.02 OUTLIER 'General case' 0 C--O 1.217 -0.654 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 179.007 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.713 ' HB3' HG23 ' A' ' 28' ' ' THR . 1.9 pt20 -130.59 111.73 12.5 Favored 'General case' 0 C--N 1.313 -0.994 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.43 179.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -166.21 -175.46 3.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.24 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.62 ' CE1' HD11 ' A' ' 41' ' ' ILE . 0.7 OUTLIER -79.13 149.38 32.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.926 -179.741 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.839 HD23 ' HB3' ' A' ' 104' ' ' PHE . 3.6 mp -144.33 149.76 36.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.642 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.482 HD23 ' HB2' ' A' ' 22' ' ' TRP . 1.1 mp -89.07 137.23 32.51 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.007 179.349 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.433 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.2 OUTLIER -129.49 122.82 30.05 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.94 0.4 . . . . 0.0 111.368 -179.494 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.46 ' HG2' ' CE2' ' A' ' 22' ' ' TRP . 30.6 mtm180 -49.83 148.2 3.27 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.318 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -157.83 70.95 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.727 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 176.54 -91.56 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.537 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -163.82 177.38 8.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.844 0.354 . . . . 0.0 110.937 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.3 t -71.18 -47.32 58.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.955 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.6 mp -64.36 -33.56 76.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.8 t30 -127.66 83.08 2.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.779 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -69.05 155.84 39.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.03 0.443 . . . . 0.0 111.055 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -167.43 99.45 0.5 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.854 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.494 ' N ' ' CD1' ' A' ' 22' ' ' TRP . 3.5 m95 -94.82 136.68 34.84 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.504 -178.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.36 159.26 17.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.47 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -70.46 120.19 15.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.979 0.418 . . . . 0.0 111.122 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.445 ' HD2' ' HA ' ' A' ' 39' ' ' PRO . 44.7 mmtt -122.68 -175.02 3.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.388 179.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.456 ' CE1' ' HB2' ' A' ' 44' ' ' TYR . 50.8 t80 -141.28 114.65 8.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.236 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.677 HG21 HD22 ' A' ' 10' ' ' LEU . 1.9 t -116.02 148.23 18.88 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.412 0 CA-C-O 121.052 0.453 . . . . 0.0 111.583 -179.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.713 HG23 ' HB3' ' A' ' 7' ' ' GLN . 89.7 m -138.65 111.53 7.78 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.076 178.056 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.732 HD12 ' OE1' ' A' ' 122' ' ' GLN . 0.2 OUTLIER -90.74 114.9 27.36 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 177.861 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.1 t -102.95 162.53 12.85 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.011 0.434 . . . . 0.0 111.392 -178.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 83.1 p -76.94 2.52 14.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.191 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 -92.75 26.04 2.88 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-O 120.758 0.313 . . . . 0.0 111.256 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.448 ' C ' HD12 ' A' ' 55' ' ' LEU . . . 54.3 42.71 74.59 Favored Glycine 0 N--CA 1.448 -0.567 0 C-N-CA 120.577 -0.821 . . . . 0.0 111.672 -179.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.585 ' N ' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -138.73 132.73 31.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.075 0.464 . . . . 0.0 111.622 -179.426 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.924 HD23 HG21 ' A' ' 94' ' ' ILE . 1.8 tp -112.6 116.8 30.77 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.749 179.252 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.532 ' N ' HD12 ' A' ' 35' ' ' LEU . 0.3 OUTLIER -116.32 147.66 41.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.952 0.406 . . . . 0.0 111.659 -179.101 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.431 ' CE1' ' HB3' ' A' ' 51' ' ' LYS . 1.0 OUTLIER -149.3 129.36 13.54 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.743 179.373 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.487 ' CD2' ' HA3' ' A' ' 50' ' ' GLY . 0.3 OUTLIER -117.76 161.96 31.42 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.835 -179.318 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.445 ' HA ' ' HD2' ' A' ' 25' ' ' LYS . 76.9 Cg_exo -49.82 -37.7 45.84 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.669 2.246 . . . . 0.0 112.588 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.36 -168.85 1.46 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.81 0.338 . . . . 0.0 111.212 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.659 HG22 HD12 ' A' ' 45' ' ' ILE . 3.4 mp -67.7 -44.55 85.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.882 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.518 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 2.4 p-10 -51.95 -26.4 10.38 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.425 0.631 . . . . 0.0 109.938 179.051 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.453 ' CB ' ' HB3' ' A' ' 38' ' ' HIS . 3.7 m-20 -76.8 -40.41 48.19 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.832 179.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.456 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -70.73 -51.12 29.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.258 0.551 . . . . 0.0 110.149 179.54 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.659 HD12 HG22 ' A' ' 41' ' ' ILE . 24.7 mt -58.0 -62.12 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.087 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.518 ' CD2' ' O ' ' A' ' 42' ' ' ASN . 14.6 m-70 -73.46 -24.52 60.23 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.722 -1.127 . . . . 0.0 112.125 -178.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 75.81 68.33 0.07 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.97 0.414 . . . . 0.0 111.567 179.484 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.451 ' O ' ' HB3' ' A' ' 43' ' ' ASP . 43.6 p -141.73 116.57 9.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.143 179.17 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 68.3 88.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 -178.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.487 ' HA3' ' CD2' ' A' ' 38' ' ' HIS . . . -143.98 91.08 0.16 Allowed Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.684 -179.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.431 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 4.0 tptt -68.63 144.76 54.38 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.914 0.388 . . . . 0.0 111.212 -179.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.444 ' HB3' HD23 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -129.55 137.85 50.99 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.497 179.882 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.537 ' HE2' ' CE2' ' A' ' 102' ' ' TRP . 0.5 OUTLIER -121.72 120.64 35.27 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.519 -179.58 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -57.46 133.76 55.48 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.815 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.867 HD13 ' CB ' ' A' ' 122' ' ' GLN . 46.9 mt -98.31 26.8 5.11 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.344 -179.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.02 -46.66 12.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.793 0.33 . . . . 0.0 110.983 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -135.12 57.22 1.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.792 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.655 HG22 ' O ' ' A' ' 95' ' ' VAL . 0.6 OUTLIER -110.67 161.8 15.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.937 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.54 151.41 48.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.221 179.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.466 ' HA ' ' O ' ' A' ' 93' ' ' LEU . 13.5 p -130.28 125.05 59.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.028 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.86 159.4 39.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.446 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.402 HG22 ' H ' ' A' ' 62' ' ' VAL . 9.1 m -78.98 157.22 76.43 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.048 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.402 ' HD2' ' HB ' ' A' ' 62' ' ' VAL . 37.4 Cg_endo -65.88 70.64 0.37 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.654 2.236 . . . . 0.0 112.472 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.89 61.38 7.16 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.784 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -137.44 154.2 49.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.795 0.331 . . . . 0.0 110.972 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.9 mmp_? -58.15 159.18 11.65 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.777 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -53.73 118.64 5.14 Favored 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.634 2.223 . . . . 0.0 112.101 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.22 96.71 0.72 Allowed 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.522 2.148 . . . . 0.0 112.387 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.1 mmt180 -141.55 75.53 1.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.763 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.11 -38.23 75.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.232 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.8 mt -61.87 -35.04 65.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.91 124.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.018 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.67 17.57 10.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.689 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 12.0 t80 61.07 154.93 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.874 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 111.82 141.97 8.62 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.478 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.86 105.84 0.14 Allowed 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.544 2.163 . . . . 0.0 112.344 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.0 p -82.75 179.97 7.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.01 -32.43 59.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.007 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 26.5 t -168.92 83.76 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.95 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -71.6 67.14 1.02 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.575 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -75.4 177.82 6.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.879 0.371 . . . . 0.0 110.864 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 60.05 101.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.995 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -123.08 -41.74 0.43 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.449 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -96.02 -34.25 11.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.811 0.339 . . . . 0.0 110.961 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -122.84 160.43 26.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.071 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -159.48 129.71 5.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.923 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -61.21 -44.12 97.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 57.59 33.41 23.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 26.3 m-20 -87.83 103.91 16.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.483 ' CE1' ' CE2' ' A' ' 109' ' ' PHE . 26.0 m-85 -94.45 104.03 16.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.018 0.437 . . . . 0.0 111.442 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.7 mp0 -147.72 129.8 15.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.154 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.617 ' CE2' HD11 ' A' ' 94' ' ' ILE . 7.5 p90 -122.68 152.97 40.02 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.964 0.412 . . . . 0.0 111.396 -179.214 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.466 ' O ' ' HA ' ' A' ' 60' ' ' VAL . 3.2 mp -116.56 145.12 43.58 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.302 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.924 HG21 HD23 ' A' ' 35' ' ' LEU . 6.0 mm -114.44 108.45 25.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.949 179.319 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.882 HG22 HG23 ' A' ' 101' ' ' THR . 52.8 t -97.26 129.27 47.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.155 0.502 . . . . 0.0 112.118 -179.109 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.521 ' HA ' HG22 ' A' ' 58' ' ' THR . 0.2 OUTLIER -92.67 -173.91 3.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.222 179.277 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.7 -18.62 40.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.415 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.0 t -100.26 23.42 10.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.895 0.379 . . . . 0.0 111.261 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 82.85 -20.6 9.15 Favored Glycine 0 CA--C 1.519 0.329 0 C-N-CA 120.591 -0.814 . . . . 0.0 113.278 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -51.88 120.3 5.17 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 117.051 0.425 . . . . 0.0 110.704 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.882 HG23 HG22 ' A' ' 95' ' ' VAL . 1.4 m -120.63 114.62 21.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.017 0.437 . . . . 0.0 111.872 -179.351 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.685 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 38.7 m0 -90.04 105.68 17.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.208 178.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.491 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.8 OUTLIER -97.37 116.32 29.36 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.406 -0.518 . . . . 0.0 110.692 179.545 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.839 ' HB3' HD23 ' A' ' 10' ' ' LEU . 18.0 m-85 -123.31 157.85 32.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.286 0.565 . . . . 0.0 111.673 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.474 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -123.44 101.72 7.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.668 178.734 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.618 ' HB3' ' HB3' ' A' ' 112' ' ' ARG . . . -54.56 131.75 43.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.726 -179.209 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -69.32 -32.15 71.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.434 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.04 145.32 38.71 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.511 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.483 ' CE2' ' CE1' ' A' ' 90' ' ' PHE . 7.7 m-30 -66.07 -38.87 89.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.187 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -73.92 -35.23 64.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.069 0.462 . . . . 0.0 110.865 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.43 -41.06 98.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.336 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.618 ' HB3' ' HB3' ' A' ' 106' ' ' ALA . 0.0 OUTLIER -56.59 -35.21 67.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.756 0.313 . . . . 0.0 110.911 -179.613 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -72.7 -48.35 39.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.511 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.466 ' HB1' ' HD3' ' A' ' 6' ' ' LYS . . . -55.68 -46.55 77.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.179 179.421 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.717 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 56.0 m95 -59.88 -55.19 37.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.918 179.058 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 42.0 t -55.57 -34.16 34.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.964 0.411 . . . . 0.0 110.264 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -79.87 -29.89 40.13 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.202 179.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.432 ' HB2' HG22 ' A' ' 5' ' ' ILE . . . -69.48 -45.1 69.77 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.237 179.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.688 HG13 HD21 ' A' ' 29' ' ' LEU . 2.4 mp -65.5 -48.83 81.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.254 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.623 ' HA ' HD12 ' A' ' 123' ' ' ILE . 0.6 OUTLIER -66.03 -32.76 74.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.91 0.386 . . . . 0.0 110.198 179.095 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 28.0 t -67.11 -45.29 77.64 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.348 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.867 ' CB ' HD13 ' A' ' 55' ' ' LEU . 1.5 mp0 -61.99 -34.36 76.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.138 179.393 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.623 HD12 ' HA ' ' A' ' 120' ' ' GLU . 16.5 mt -73.78 -35.47 43.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.778 179.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.75 -34.31 75.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.672 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -75.73 -36.56 59.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.005 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.74 -29.82 59.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.8 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 12.7 mt -70.3 -47.52 60.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.272 -0.871 . . . . 0.0 110.914 -179.987 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.796 0.331 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.725 ' O ' HD13 ' A' ' 3' ' ' ILE . . . -100.95 161.82 13.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.116 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.725 HD13 ' O ' ' A' ' 2' ' ' ALA . 20.3 mm -132.85 132.68 22.64 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.787 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.57 127.37 25.77 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.357 2.038 . . . . 0.0 112.48 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.518 ' N ' ' O ' ' A' ' 29' ' ' LEU . 16.6 mm -93.89 -17.0 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.493 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.626 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 5.4 tptt 173.32 110.96 0.02 OUTLIER 'General case' 0 C--O 1.217 -0.608 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 179.246 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.981 ' HG2' HG23 ' A' ' 28' ' ' THR . 12.0 mt-30 -125.14 113.73 18.1 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 178.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -160.7 -176.81 5.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.03 0.443 . . . . 0.0 111.579 -179.554 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.679 ' CE1' HD11 ' A' ' 41' ' ' ILE . 1.3 m-85 -93.72 123.65 37.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.776 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.848 HD23 ' HB3' ' A' ' 104' ' ' PHE . 8.7 mp -115.15 154.33 29.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.877 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.521 HD23 ' HB2' ' A' ' 22' ' ' TRP . 1.2 tp -91.49 143.88 26.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.234 179.353 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.407 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.0 OUTLIER -136.5 111.97 9.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.833 0.349 . . . . 0.0 111.221 -179.751 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.422 ' HA ' ' HA ' ' A' ' 22' ' ' TRP . 11.5 ptt85 -55.71 148.19 16.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.105 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.6 t -90.36 -49.1 6.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -174.09 170.73 43.88 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.54 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 63.64 135.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.747 0.308 . . . . 0.0 111.033 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.2 t -81.23 -57.14 3.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.1 mt -64.68 -34.35 78.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.788 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -107.52 47.2 0.9 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.668 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.498 ' HD3' ' CZ2' ' A' ' 22' ' ' TRP . 5.5 mttt -56.78 158.45 4.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.216 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -158.68 96.3 1.37 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.578 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.521 ' HB2' HD23 ' A' ' 11' ' ' LEU . 2.8 m95 -90.22 136.99 32.71 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.426 -178.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -110.5 162.73 14.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.471 179.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -68.67 123.17 20.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.029 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.455 ' O ' ' HA ' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -126.84 173.16 9.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.46 179.827 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.444 ' CE1' ' HB2' ' A' ' 44' ' ' TYR . 54.0 t80 -131.8 114.91 15.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.597 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.742 HG21 HD22 ' A' ' 10' ' ' LEU . 1.7 t -115.44 147.8 18.59 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.372 0 CA-C-O 120.808 0.337 . . . . 0.0 111.609 -179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.981 HG23 ' HG2' ' A' ' 7' ' ' GLN . 51.9 m -138.67 110.72 7.28 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.072 178.173 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.729 HD23 ' CZ3' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -90.3 117.12 28.78 Favored 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 177.587 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.6 t -108.98 161.46 15.13 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.961 0.41 . . . . 0.0 111.195 -178.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.409 ' HB2' ' O ' ' A' ' 3' ' ' ILE . 1.8 t -76.56 2.05 15.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.213 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -90.93 25.92 2.26 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-O 120.82 0.343 . . . . 0.0 111.206 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.424 ' HA2' ' HB3' ' A' ' 122' ' ' GLN . . . 53.14 40.4 59.37 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.057 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.419 ' CD1' ' HB3' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -139.23 125.14 19.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.068 0.461 . . . . 0.0 111.656 -179.622 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.84 HD23 HG21 ' A' ' 94' ' ' ILE . 2.0 tp -105.7 116.92 32.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.631 179.046 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.716 HD23 ' HG2' ' A' ' 52' ' ' GLU . 0.4 OUTLIER -112.68 146.56 38.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.918 0.389 . . . . 0.0 111.664 -179.008 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.429 ' CE1' ' HB2' ' A' ' 51' ' ' LYS . 0.5 OUTLIER -148.98 125.97 11.29 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.793 179.212 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.496 ' CD2' ' HA3' ' A' ' 50' ' ' GLY . 0.3 OUTLIER -118.26 162.52 29.59 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 115.399 -0.818 . . . . 0.0 110.695 -179.268 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -50.48 -38.27 53.52 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.547 2.165 . . . . 0.0 112.722 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 59.2 p -164.27 -169.77 1.9 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.871 0.367 . . . . 0.0 111.25 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.679 HD11 ' CE1' ' A' ' 9' ' ' PHE . 3.5 mp -67.12 -44.51 87.96 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.932 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.513 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 16.1 m120 -51.86 -26.38 9.93 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.441 0.639 . . . . 0.0 109.995 179.073 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.479 ' HB3' ' O ' ' A' ' 48' ' ' THR . 13.0 m-20 -76.82 -41.92 42.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.739 179.484 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.444 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 0.5 OUTLIER -68.68 -51.21 44.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.249 0.547 . . . . 0.0 110.123 179.464 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.657 HD12 HG22 ' A' ' 41' ' ' ILE . 29.8 mt -58.6 -62.5 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.267 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.513 ' CD2' ' O ' ' A' ' 42' ' ' ASN . 15.1 m-70 -73.59 -24.31 60.05 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.809 -1.087 . . . . 0.0 112.324 -178.455 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 76.72 73.82 0.08 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.039 0.447 . . . . 0.0 111.198 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.479 ' O ' ' HB3' ' A' ' 43' ' ' ASP . 50.3 p -145.94 117.91 8.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.113 179.283 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 4.7 m80 64.32 88.35 0.1 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 -178.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.496 ' HA3' ' CD2' ' A' ' 38' ' ' HIS . . . -143.32 90.39 0.17 Allowed Glycine 0 N--CA 1.448 -0.548 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.659 -179.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.429 ' HB2' ' CE1' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -68.59 144.48 54.51 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.877 0.37 . . . . 0.0 111.182 -179.238 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.716 ' HG2' HD23 ' A' ' 36' ' ' LEU . 50.6 mt-10 -128.29 133.16 48.69 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.383 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.531 ' CE ' ' CG ' ' A' ' 102' ' ' TRP . 0.5 OUTLIER -116.71 122.62 45.03 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.587 -179.768 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -56.47 132.3 50.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.655 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.764 HD13 ' CB ' ' A' ' 122' ' ' GLN . 13.7 mt -96.04 24.68 5.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.358 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 tt -83.29 -61.46 1.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.238 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.2 ttm180 -117.67 43.76 2.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.182 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.541 HG22 ' O ' ' A' ' 95' ' ' VAL . 0.3 OUTLIER -94.9 162.08 13.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.947 0.403 . . . . 0.0 110.815 179.831 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -131.66 156.72 45.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.627 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.8 m -114.86 114.75 47.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.633 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.34 161.33 13.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.066 0.46 . . . . 0.0 111.337 -179.282 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 23.6 t -143.97 136.07 13.17 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.824 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.74 61.41 3.7 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.42 2.08 . . . . 0.0 112.397 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.07 107.68 0.57 Allowed Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.585 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.3 173.28 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.628 0.251 . . . . 0.0 110.933 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.0 mpt_? 62.45 172.41 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.445 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_exo -52.25 118.35 4.5 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.306 2.004 . . . . 0.0 112.17 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.41 ' HG3' ' O ' ' A' ' 89' ' ' ASN . 86.0 Cg_endo -86.41 171.72 7.37 Favored 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 122.693 2.262 . . . . 0.0 112.404 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 23.7 mmm180 -136.48 143.28 43.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.72 -33.62 74.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.112 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 28.0 mt -77.85 -29.72 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.66 115.22 7.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.974 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.67 17.58 10.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.01 0.433 . . . . 0.0 111.687 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -153.85 95.82 1.91 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.951 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 172.4 150.94 7.57 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.51 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.26 164.82 1.13 Allowed 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.615 2.21 . . . . 0.0 112.346 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -137.66 81.81 1.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.839 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -90.24 -40.04 12.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.196 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.2 m 62.94 142.68 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.935 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 170.17 112.18 0.26 Allowed Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.548 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.1 m 59.83 96.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.802 0.334 . . . . 0.0 110.988 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -160.71 161.96 32.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -110.42 -38.92 1.55 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.457 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -135.92 80.12 1.81 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.826 0.346 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -140.21 -177.15 4.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.091 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 59.75 62.07 1.79 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.029 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -60.85 -30.93 70.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.676 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.439 ' HB3' ' CZ ' ' A' ' 109' ' ' PHE . 0.8 OUTLIER 60.14 77.06 0.34 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.117 179.762 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.41 ' O ' ' HG3' ' A' ' 68' ' ' PRO . 0.6 OUTLIER -106.33 106.29 16.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.482 179.584 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.47 ' CE1' ' CE2' ' A' ' 109' ' ' PHE . 2.7 m-85 -94.62 104.03 15.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.464 -179.411 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -133.28 130.1 38.49 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.665 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.613 ' CE1' HD11 ' A' ' 94' ' ' ILE . 13.0 p90 -124.26 153.18 42.06 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.71 0.29 . . . . 0.0 110.965 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.503 ' O ' HD13 ' A' ' 94' ' ' ILE . 1.3 mp -115.88 159.56 21.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.071 0.463 . . . . 0.0 111.824 -179.296 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.84 HG21 HD23 ' A' ' 35' ' ' LEU . 11.7 mm -130.26 108.57 16.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.291 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 1.01 HG22 HG23 ' A' ' 101' ' ' THR . 57.7 t -102.1 133.21 46.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.799 0.333 . . . . 0.0 111.785 -179.496 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.502 ' HA ' HG22 ' A' ' 58' ' ' THR . 0.0 OUTLIER -98.85 -174.14 2.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.514 179.33 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 48.2 t -85.29 -3.6 58.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.55 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.6 t -110.56 21.39 16.66 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.827 0.346 . . . . 0.0 111.083 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 81.88 -19.93 8.84 Favored Glycine 0 CA--C 1.52 0.345 0 C-N-CA 120.812 -0.709 . . . . 0.0 113.425 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.83 126.62 26.46 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 117.01 0.405 . . . . 0.0 110.728 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 1.01 HG23 HG22 ' A' ' 95' ' ' VAL . 1.4 m -126.07 114.68 18.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.482 -179.662 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.625 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 36.7 m0 -93.42 105.44 17.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.168 179.052 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.513 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.7 OUTLIER -94.63 116.13 28.39 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.514 179.26 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.848 ' HB3' HD23 ' A' ' 10' ' ' LEU . 29.5 m-85 -122.12 164.84 17.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.276 0.56 . . . . 0.0 111.78 -179.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.455 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -128.16 103.6 7.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.552 178.784 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.547 ' HB3' ' HB3' ' A' ' 112' ' ' ARG . . . -54.04 123.59 13.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.618 -179.197 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.44 -29.18 67.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.764 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -117.79 150.63 38.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.603 179.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.47 ' CE2' ' CE1' ' A' ' 90' ' ' PHE . 8.0 m-30 -66.11 -41.34 90.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -73.79 -32.6 63.83 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.986 0.422 . . . . 0.0 110.542 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.19 -40.53 85.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.458 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.547 ' HB3' ' HB3' ' A' ' 106' ' ' ALA . 0.0 OUTLIER -57.05 -34.13 67.93 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.767 0.318 . . . . 0.0 110.865 -179.731 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.525 ' O ' HG12 ' A' ' 116' ' ' VAL . 0.5 OUTLIER -74.76 -42.56 58.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.806 179.707 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.483 ' HB1' ' HD3' ' A' ' 6' ' ' LYS . . . -61.05 -46.53 90.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.92 0.39 . . . . 0.0 110.037 179.438 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.729 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 59.2 m95 -63.48 -51.79 64.09 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.764 178.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.525 HG12 ' O ' ' A' ' 113' ' ' ASP . 1.1 p -57.63 -32.44 42.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.884 0.373 . . . . 0.0 110.217 179.426 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -82.51 -30.92 29.5 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.196 179.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.445 ' HB1' ' CG2' ' A' ' 5' ' ' ILE . . . -67.46 -47.45 70.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.018 179.274 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.684 HG13 HD21 ' A' ' 29' ' ' LEU . 2.4 mp -64.98 -51.15 70.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.481 -0.782 . . . . 0.0 109.635 178.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.627 ' HA ' HD12 ' A' ' 123' ' ' ILE . 6.0 mm-40 -61.53 -32.7 72.77 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.117 179.005 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.4 m -63.96 -49.5 72.3 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.425 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.764 ' CB ' HD13 ' A' ' 55' ' ' LEU . 92.9 mm-40 -62.14 -39.67 93.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.551 179.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.627 HD12 ' HA ' ' A' ' 120' ' ' GLU . 14.3 mt -66.53 -41.18 88.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.88 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 17.1 tp -60.7 -36.3 78.46 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.675 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.31 -28.38 56.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.094 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.7 m -86.31 -34.94 20.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.272 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.411 HD22 ' HA ' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -65.84 -32.48 74.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.839 0.352 . . . . 0.0 111.042 -179.84 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.987 179.984 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.819 0.342 . . . . 0.0 111.195 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.55 163.39 18.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.167 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.439 ' O ' ' HB2' ' A' ' 31' ' ' SER . 17.9 mt -134.62 134.92 22.66 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.816 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -60.63 124.77 15.72 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.225 1.95 . . . . 0.0 112.391 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.507 ' N ' ' O ' ' A' ' 29' ' ' LEU . 25.7 mm -93.82 -19.82 6.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.4 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.612 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 5.1 tptt 177.72 110.96 0.03 OUTLIER 'General case' 0 C--O 1.218 -0.582 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 179.154 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.647 ' HB2' HG23 ' A' ' 28' ' ' THR . 0.0 OUTLIER -127.86 113.5 16.0 Favored 'General case' 0 C--N 1.313 -0.998 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.469 179.673 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 43.8 p -168.24 -177.15 3.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.616 ' CE1' HD11 ' A' ' 41' ' ' ILE . 3.2 m-85 -84.32 143.02 29.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.024 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.803 HD23 ' HB3' ' A' ' 104' ' ' PHE . 6.1 mp -134.76 155.19 51.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.476 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.492 HD23 ' HB2' ' A' ' 22' ' ' TRP . 1.1 tp -90.94 135.74 33.54 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.045 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.421 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.1 OUTLIER -125.97 112.91 16.47 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.862 0.363 . . . . 0.0 111.306 -179.412 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.79 147.96 26.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.844 179.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.16 101.08 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.932 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 129.19 115.02 1.79 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.643 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 62.2 149.74 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.808 0.337 . . . . 0.0 111.025 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.52 -56.55 3.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 mp -69.53 -41.06 76.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.831 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -94.05 84.07 4.43 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.604 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.95 165.07 1.34 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.139 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -164.97 97.96 0.74 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.912 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.509 ' N ' ' CD1' ' A' ' 22' ' ' TRP . 2.8 m95 -97.23 136.03 38.32 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.394 -178.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.04 156.57 22.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.674 179.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.9 mmtp -64.26 119.12 9.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.116 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.42 ' HG3' ' HB2' ' A' ' 12' ' ' LYS . 35.8 mmtm -119.47 -178.34 3.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.748 179.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.48 ' O ' ' HA ' ' A' ' 37' ' ' TYR . 45.4 t80 -135.34 114.73 12.5 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.146 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.677 HG21 HD22 ' A' ' 10' ' ' LEU . 1.6 t -120.03 145.9 25.63 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.376 0 CA-C-O 120.961 0.41 . . . . 0.0 111.999 -179.342 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.652 ' O ' HD12 ' A' ' 36' ' ' LEU . 89.9 m -138.72 110.52 7.17 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.053 177.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.734 ' CD2' HD13 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -89.42 116.1 27.35 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 177.809 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.0 t -107.09 158.28 17.19 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.95 0.405 . . . . 0.0 111.289 -178.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.439 ' HB2' ' O ' ' A' ' 3' ' ' ILE . 1.1 t -74.76 2.32 10.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.141 179.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -90.25 26.05 2.03 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.857 0.361 . . . . 0.0 111.208 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.417 ' HA2' ' HB3' ' A' ' 122' ' ' GLN . . . 53.52 40.75 62.86 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.696 -0.764 . . . . 0.0 111.845 -179.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.462 ' N ' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -139.34 123.59 18.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.962 0.41 . . . . 0.0 111.726 -179.427 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.921 HD23 HG21 ' A' ' 94' ' ' ILE . 3.0 tp -103.01 117.09 33.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.542 178.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.652 HD12 ' O ' ' A' ' 28' ' ' THR . 0.4 OUTLIER -113.71 144.67 42.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.105 0.478 . . . . 0.0 111.957 -178.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.48 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.3 OUTLIER -150.83 125.0 9.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.123 179.024 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.539 ' HB3' ' CB ' ' A' ' 43' ' ' ASP . 0.6 OUTLIER -113.65 159.44 35.59 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.115 -179.014 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -49.1 -29.64 16.67 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.759 2.306 . . . . 0.0 113.123 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.87 -170.75 0.33 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.832 0.348 . . . . 0.0 111.409 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.77 HG22 HD12 ' A' ' 45' ' ' ILE . 3.4 mp -64.76 -43.73 96.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.073 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.528 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 7.2 m-20 -51.74 -27.83 13.25 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.402 0.62 . . . . 0.0 109.88 179.211 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.774 ' HA ' HG23 ' A' ' 48' ' ' THR . 3.8 m-20 -76.91 -39.6 50.26 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.839 179.426 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -71.53 -51.24 24.62 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.261 0.553 . . . . 0.0 110.054 179.612 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.77 HD12 HG22 ' A' ' 41' ' ' ILE . 19.3 mt -57.31 -61.64 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.901 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.528 ' CD2' ' O ' ' A' ' 42' ' ' ASN . 13.7 m-70 -73.44 -24.98 60.31 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.829 -1.078 . . . . 0.0 111.831 -178.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.4 t 74.7 72.04 0.1 Allowed 'General case' 0 C--O 1.232 0.155 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.774 HG23 ' HA ' ' A' ' 43' ' ' ASP . 31.1 p -87.22 -154.43 0.24 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.811 178.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -40.77 -55.85 2.32 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.93 0.395 . . . . 0.0 111.491 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.451 ' HA2' ' CD2' ' A' ' 38' ' ' HIS . . . 59.41 99.74 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.574 179.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.445 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . 0.5 OUTLIER -75.3 143.49 42.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.823 0.344 . . . . 0.0 110.938 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.616 ' HG2' HD23 ' A' ' 36' ' ' LEU . 13.2 mt-10 -138.8 133.25 31.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.646 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.545 ' CE ' ' CG ' ' A' ' 102' ' ' TRP . 0.4 OUTLIER -118.69 121.91 41.24 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.61 -179.727 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -57.35 130.45 46.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.454 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.85 HD13 ' CB ' ' A' ' 122' ' ' GLN . 18.8 mt -95.05 28.25 2.86 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.547 -179.424 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.2 -61.59 1.81 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.808 0.337 . . . . 0.0 110.982 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.414 ' NH1' ' CB ' ' A' ' 97' ' ' SER . 19.3 mtm105 -116.61 50.86 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.754 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.659 HG22 ' O ' ' A' ' 95' ' ' VAL . 0.3 OUTLIER -100.28 161.99 13.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.074 -179.871 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.14 170.01 16.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.75 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.848 HG11 HG13 ' A' ' 116' ' ' VAL . 21.9 t -131.27 120.27 45.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.659 179.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.677 ' HE3' HG21 ' A' ' 95' ' ' VAL . 1.7 ptpm? -130.13 160.66 33.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.009 0.433 . . . . 0.0 111.599 -179.452 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.5 HG22 ' HA ' ' A' ' 92' ' ' PHE . 56.2 t -146.92 134.0 10.09 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.662 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -57.71 84.96 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.344 2.029 . . . . 0.0 112.209 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 63.65 99.01 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.376 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.13 101.02 0.05 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.958 0.408 . . . . 0.0 110.871 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.415 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . 0.0 OUTLIER 169.99 176.69 0.1 OUTLIER Pre-proline 0 C--N 1.332 -0.191 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.552 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.415 ' CD ' ' CB ' ' A' ' 66' ' ' ARG . 53.9 Cg_exo -52.37 133.21 47.64 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.351 2.034 . . . . 0.0 112.103 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -71.57 141.05 37.36 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.388 2.059 . . . . 0.0 112.308 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.04 35.52 23.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.835 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.15 -52.55 65.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.202 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.4 mp -90.44 -70.51 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.235 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 55.39 58.09 4.9 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.901 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.68 17.6 10.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.746 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -108.5 93.34 4.47 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.896 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 83.01 -138.65 18.3 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.493 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -67.46 104.02 0.87 Allowed 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.444 2.096 . . . . 0.0 112.244 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.9 -176.07 0.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.987 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.55 -21.75 44.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.304 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 29.2 m 64.46 102.94 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.773 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 98.29 133.19 7.88 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.516 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.4 p -123.34 89.77 3.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.868 0.366 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 60.84 156.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.019 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 109.08 24.63 5.92 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.619 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -177.66 -39.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 0.0 110.94 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -174.72 162.37 3.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.108 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -151.39 121.42 7.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -56.11 -50.48 70.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.021 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.455 ' HB3' ' CZ ' ' A' ' 109' ' ' PHE . 2.5 mt-10 50.31 26.99 2.47 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.393 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -61.68 104.7 0.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.715 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.512 ' CE2' ' CD1' ' A' ' 109' ' ' PHE . 8.2 m-85 -85.64 137.02 33.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.263 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -138.71 129.77 26.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.551 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.615 ' CE2' HD11 ' A' ' 94' ' ' ILE . 11.0 p90 -119.25 149.61 41.48 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.928 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.424 ' HB2' ' HG3' ' A' ' 61' ' ' LYS . 0.8 OUTLIER -112.32 141.31 46.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.77 -179.259 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.921 HG21 HD23 ' A' ' 35' ' ' LEU . 13.7 mm -111.38 108.58 25.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.191 179.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.677 HG21 ' HE3' ' A' ' 61' ' ' LYS . 99.0 t -96.75 132.6 40.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.961 0.41 . . . . 0.0 111.641 -179.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.34 -174.05 2.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.229 179.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.414 ' CB ' ' NH1' ' A' ' 57' ' ' ARG . 0.3 OUTLIER -83.52 -20.18 34.36 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.238 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 8.6 t -100.14 23.57 9.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.836 0.35 . . . . 0.0 111.006 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 84.16 -21.82 9.44 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 120.679 -0.772 . . . . 0.0 113.23 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.99 123.94 7.92 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.94 0.37 . . . . 0.0 110.728 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.497 ' HA ' ' O ' ' A' ' 94' ' ' ILE . 23.4 m -125.2 114.78 19.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.837 0.351 . . . . 0.0 111.836 -179.529 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.636 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 38.5 m0 -92.84 105.5 17.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.972 178.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.489 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.8 OUTLIER -94.44 116.08 28.38 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.655 179.434 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.803 ' HB3' HD23 ' A' ' 10' ' ' LEU . 17.3 m-85 -123.79 163.87 20.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.22 0.533 . . . . 0.0 111.402 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.441 ' HB3' ' CB ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -126.04 108.82 11.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.863 179.07 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -53.52 122.62 10.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.77 -179.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.65 -32.99 74.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.336 179.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -116.17 138.93 50.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.373 179.418 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.512 ' CD1' ' CE2' ' A' ' 90' ' ' PHE . 15.5 m-30 -57.32 -36.2 70.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.33 -179.483 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -73.92 -36.02 64.66 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.057 0.456 . . . . 0.0 110.891 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.47 -32.14 73.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.489 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.579 ' O ' HG23 ' A' ' 116' ' ' VAL . 0.3 OUTLIER -56.78 -41.22 77.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.795 0.331 . . . . 0.0 110.816 -179.666 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -74.8 -46.73 34.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.635 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 118' ' ' ALA . . . -54.16 -51.92 62.78 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.475 179.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.725 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 55.4 m95 -59.17 -52.63 64.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.985 179.079 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.848 HG13 HG11 ' A' ' 60' ' ' VAL . 67.6 t -57.58 -33.8 45.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 CA-C-O 120.869 0.366 . . . . 0.0 110.32 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.412 ' O ' ' CB ' ' A' ' 121' ' ' SER . 0.0 OUTLIER -80.87 -28.26 36.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.31 179.002 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 114' ' ' ALA . . . -70.97 -43.84 67.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.311 179.545 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.708 HG13 HD21 ' A' ' 29' ' ' LEU . 2.4 mp -67.32 -48.73 76.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.072 179.324 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.678 ' O ' HD12 ' A' ' 124' ' ' LEU . 4.2 mt-10 -65.67 -32.79 74.55 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.913 0.387 . . . . 0.0 110.111 179.141 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.412 ' CB ' ' O ' ' A' ' 117' ' ' GLN . 12.9 t -66.36 -45.37 80.36 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.508 179.442 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.85 ' CB ' HD13 ' A' ' 55' ' ' LEU . 56.7 mm-40 -63.12 -33.97 76.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.412 179.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.596 HD12 ' HA ' ' A' ' 120' ' ' GLU . 24.9 mt -72.24 -37.23 58.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.921 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.678 HD12 ' O ' ' A' ' 120' ' ' GLU . 0.2 OUTLIER -66.68 -35.68 80.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.58 179.574 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.44 -30.66 57.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.91 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.2 m -80.77 -35.04 33.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.077 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.54 -34.02 72.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.949 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.14 -0.933 . . . . 0.0 110.966 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.791 0.329 . . . . 0.0 111.349 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.07 171.35 12.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.151 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.6 mm -126.13 132.38 24.3 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.958 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -59.81 128.01 25.42 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.424 2.082 . . . . 0.0 112.469 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.441 HG22 ' HB2' ' A' ' 118' ' ' ALA . 24.8 mm -92.88 -20.13 6.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.045 179.642 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.601 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 0.2 OUTLIER 176.99 110.56 0.02 OUTLIER 'General case' 0 C--O 1.216 -0.687 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.124 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.789 ' HB3' HG23 ' A' ' 28' ' ' THR . 2.9 pt20 -130.73 109.51 10.66 Favored 'General case' 0 C--N 1.312 -1.055 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.433 179.379 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -164.59 -175.19 3.74 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.2 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.594 ' CE1' HD11 ' A' ' 41' ' ' ILE . 5.1 m-85 -81.78 132.74 35.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.117 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.796 HD23 ' HB3' ' A' ' 104' ' ' PHE . 4.5 mp -126.43 151.88 47.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.357 179.628 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.526 HD23 ' HB2' ' A' ' 22' ' ' TRP . 1.0 OUTLIER -90.28 137.36 32.41 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 179.087 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.415 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.2 OUTLIER -126.09 126.53 44.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.914 0.388 . . . . 0.0 111.218 -179.504 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.458 ' NE ' ' CD2' ' A' ' 103' ' ' HIS . 15.3 mtt180 -47.65 148.15 1.59 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.088 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.59 -62.51 1.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.978 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -171.01 -72.52 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.745 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -52.1 129.41 27.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.774 0.321 . . . . 0.0 111.24 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.0 m -78.29 -53.88 6.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.989 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.43 ' H ' HD12 ' A' ' 18' ' ' LEU . 3.2 mp -53.2 -36.97 61.55 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.96 0.41 . . . . 0.0 110.946 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 53.0 m-20 -118.52 72.3 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.507 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.409 ' HD2' ' CD ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -55.91 150.06 13.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.186 -179.496 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -157.62 97.02 1.56 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.494 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.549 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 3.7 m95 -88.83 136.82 32.81 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.448 -178.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.29 160.42 16.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.589 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.98 117.86 8.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.09 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.458 ' HE3' ' HA ' ' A' ' 39' ' ' PRO . 0.3 OUTLIER -119.73 176.54 5.34 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.559 179.712 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.469 ' CE1' ' CG ' ' A' ' 44' ' ' TYR . 45.7 t80 -135.72 115.1 12.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.571 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.62 HG23 ' HB2' ' A' ' 10' ' ' LEU . 1.9 t -123.07 148.15 27.05 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.304 0 CA-C-O 120.947 0.403 . . . . 0.0 111.936 -179.285 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.789 HG23 ' HB3' ' A' ' 7' ' ' GLN . 95.9 m -138.89 110.57 7.11 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.06 177.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.689 HD21 HG13 ' A' ' 119' ' ' ILE . 0.2 OUTLIER -89.12 116.09 27.13 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 178.051 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.5 t -105.03 161.06 14.55 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.068 0.461 . . . . 0.0 111.392 -178.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.8 t -77.16 1.28 18.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.175 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -89.74 26.17 1.85 Allowed 'General case' 0 CA--C 1.522 -0.131 0 CA-C-O 120.814 0.34 . . . . 0.0 111.258 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 53.94 40.42 65.31 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.633 -0.794 . . . . 0.0 111.589 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.425 ' N ' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -138.2 128.68 26.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.966 0.412 . . . . 0.0 111.443 -179.454 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.972 HD23 HG21 ' A' ' 94' ' ' ILE . 2.3 tp -107.86 117.19 33.47 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.491 179.247 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.557 HD12 ' O ' ' A' ' 28' ' ' THR . 0.7 OUTLIER -112.39 143.8 42.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.039 0.447 . . . . 0.0 112.038 -178.892 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.433 ' CD2' ' HB3' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -148.93 130.06 14.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.415 179.382 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.487 ' CD2' ' HA2' ' A' ' 50' ' ' GLY . 0.2 OUTLIER -119.81 156.55 53.94 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.816 -179.479 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.458 ' HA ' ' HE3' ' A' ' 25' ' ' LYS . 59.5 Cg_exo -51.52 -28.91 29.97 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.776 2.317 . . . . 0.0 112.599 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.49 -174.68 1.22 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.841 0.353 . . . . 0.0 111.111 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.784 HG22 HD12 ' A' ' 45' ' ' ILE . 3.4 mp -63.96 -44.35 97.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.886 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.486 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 43.2 m-20 -51.89 -29.38 19.64 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.309 0.576 . . . . 0.0 110.104 179.319 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.437 ' CB ' ' HB3' ' A' ' 38' ' ' HIS . 1.7 m-20 -76.9 -38.56 53.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.837 179.476 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.469 ' CG ' ' CE1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -70.45 -51.35 29.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.233 0.539 . . . . 0.0 110.168 179.479 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.784 HD12 HG22 ' A' ' 41' ' ' ILE . 23.2 mt -59.55 -62.48 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.233 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.486 ' CD2' ' O ' ' A' ' 42' ' ' ASN . 13.1 m-70 -73.32 -24.75 60.42 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.74 -1.118 . . . . 0.0 112.292 -178.506 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.43 ' HA ' ' O ' ' A' ' 43' ' ' ASP . 1.4 m 76.61 73.03 0.07 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.827 0.346 . . . . 0.0 111.244 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 47.1 p -119.21 116.97 27.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 76.98 -59.74 0.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.459 -179.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.487 ' HA2' ' CD2' ' A' ' 38' ' ' HIS . . . 45.81 89.4 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.24 0 CA-C-N 115.564 -0.744 . . . . 0.0 113.159 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.446 ' HG2' ' CZ2' ' A' ' 102' ' ' TRP . 0.1 OUTLIER -78.9 141.24 37.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.761 0.315 . . . . 0.0 110.565 179.738 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -141.31 134.72 29.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.045 0.45 . . . . 0.0 110.931 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.561 ' CE ' ' CG ' ' A' ' 102' ' ' TRP . 0.9 OUTLIER -121.95 122.5 39.51 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.437 -179.868 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.485 ' O ' HG23 ' A' ' 58' ' ' THR . 13.5 p-10 -58.07 128.01 34.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.48 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.739 HD13 ' CB ' ' A' ' 122' ' ' GLN . 7.9 mt -91.54 20.22 5.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.797 -179.421 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -83.19 -61.64 1.8 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.784 0.326 . . . . 0.0 110.767 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.1 ttm-85 -109.86 52.56 0.72 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.664 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.615 HG22 ' O ' ' A' ' 95' ' ' VAL . 0.6 OUTLIER -106.59 162.05 14.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.174 -179.836 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.24 172.42 12.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.573 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.43 HG21 ' HG3' ' A' ' 120' ' ' GLU . 21.1 t -126.2 132.82 70.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.034 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.647 ' HE3' HG21 ' A' ' 95' ' ' VAL . 7.9 mtmt -129.77 159.09 37.58 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.239 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 22.0 t -122.67 136.4 26.65 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.832 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.2 59.45 3.06 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.547 2.164 . . . . 0.0 112.754 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.85 -46.67 3.46 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.718 -0.754 . . . . 0.0 113.059 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.02 152.23 0.55 Allowed 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.906 0.384 . . . . 0.0 111.417 -179.679 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.47 165.03 38.78 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.946 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.4 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 16.7 Cg_endo -57.62 119.76 7.23 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.628 2.219 . . . . 0.0 112.17 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 67' ' ' PRO . 39.9 Cg_exo -56.88 154.6 31.55 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.536 2.157 . . . . 0.0 112.315 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -92.8 116.71 29.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -90.64 -42.14 10.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.358 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.473 ' H ' HD12 ' A' ' 71' ' ' ILE . 3.7 mp -84.07 -36.14 11.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.278 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.22 70.28 2.15 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.967 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.72 17.49 10.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.721 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -157.7 159.12 36.58 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -159.17 145.94 12.23 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.452 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -72.89 168.8 23.7 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.458 2.105 . . . . 0.0 112.274 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.0 m -163.52 101.82 0.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -77.28 -32.05 55.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.06 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.9 t -163.8 64.2 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 63.32 -154.94 44.23 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.427 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 90.7 p -122.96 77.93 1.5 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.882 0.373 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -103.94 110.39 22.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 106.94 28.14 5.12 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.583 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -176.77 77.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.842 0.353 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.06 106.93 2.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.051 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -110.73 108.49 18.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -59.13 -37.64 77.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.452 ' HB3' ' CZ ' ' A' ' 109' ' ' PHE . 3.0 mt-10 55.0 34.24 22.0 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.2 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -82.24 108.98 16.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.477 179.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.512 ' CG ' ' HG3' ' A' ' 112' ' ' ARG . 16.2 m-85 -89.42 111.03 21.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.061 0.458 . . . . 0.0 111.798 -179.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -128.11 129.87 47.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.554 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.684 ' CE2' HD11 ' A' ' 94' ' ' ILE . 5.0 p90 -130.33 151.86 50.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.95 0.405 . . . . 0.0 111.689 -179.065 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.447 ' HG ' ' CG ' ' A' ' 103' ' ' HIS . 0.6 OUTLIER -115.63 145.73 42.44 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.025 -179.862 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.972 HG21 HD23 ' A' ' 35' ' ' LEU . 11.7 mm -116.64 108.32 24.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.267 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.647 HG21 ' HE3' ' A' ' 61' ' ' LYS . 84.8 t -97.0 131.88 42.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.873 0.368 . . . . 0.0 111.601 -179.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.4 -174.14 3.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.283 179.259 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 15.7 p -84.04 -17.3 40.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.274 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.2 t -101.89 23.39 11.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.939 0.4 . . . . 0.0 111.173 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 84.5 -21.76 10.13 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 120.799 -0.715 . . . . 0.0 113.329 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.07 128.47 16.29 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.93 0.365 . . . . 0.0 110.827 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.64 HG23 HG22 ' A' ' 95' ' ' VAL . 2.5 m -128.6 114.64 16.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.018 0.437 . . . . 0.0 111.888 -179.42 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.692 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 38.4 m0 -94.57 105.42 17.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.259 178.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.549 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.8 OUTLIER -96.84 116.16 28.68 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.302 179.069 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.796 ' HB3' HD23 ' A' ' 10' ' ' LEU . 17.5 m-85 -123.34 154.92 38.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.289 0.566 . . . . 0.0 111.906 -179.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.485 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 26.7 tt0 -121.81 93.53 4.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.303 178.31 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.631 ' HB3' ' HB3' ' A' ' 112' ' ' ARG . . . -40.6 162.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.408 -179.021 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -100.83 -51.86 3.45 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.598 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.444 ' O ' ' CD ' ' A' ' 112' ' ' ARG . 0.8 OUTLIER -98.06 133.08 43.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.888 -179.817 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.506 ' HA ' ' CG ' ' A' ' 112' ' ' ARG . 5.5 m-30 -50.27 -34.67 24.13 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.14 -179.542 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -74.13 -32.69 63.27 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.003 0.43 . . . . 0.0 110.08 178.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.6 -39.6 64.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.722 -179.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.631 ' HB3' ' HB3' ' A' ' 106' ' ' ALA . 0.0 OUTLIER -56.04 -44.19 78.57 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.472 -179.427 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -71.88 -41.03 68.5 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.527 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.546 ' HB1' ' HD3' ' A' ' 6' ' ' LYS . . . -58.27 -48.31 80.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.47 179.436 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.688 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 57.2 m95 -57.85 -53.69 55.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.972 179.331 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 74.4 t -55.61 -35.78 39.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-O 120.857 0.36 . . . . 0.0 110.181 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -79.51 -28.44 41.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.496 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.441 ' HB2' HG22 ' A' ' 5' ' ' ILE . . . -69.32 -46.63 66.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.398 179.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.689 HG13 HD21 ' A' ' 29' ' ' LEU . 2.9 mp -66.0 -47.66 84.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.121 179.338 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.43 ' HG3' HG21 ' A' ' 60' ' ' VAL . 37.7 mt-10 -65.69 -32.8 74.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.884 0.374 . . . . 0.0 110.177 179.226 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.1 m -68.2 -46.17 71.36 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.508 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.739 ' CB ' HD13 ' A' ' 55' ' ' LEU . 68.9 mm-40 -62.59 -34.96 78.04 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.397 179.565 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.421 ' O ' HD23 ' A' ' 127' ' ' LEU . 39.2 mt -73.95 -36.52 45.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.68 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 2.8 mp -68.64 -34.45 75.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.581 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.41 -33.23 58.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.5 m -77.53 -32.04 53.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.006 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.421 HD23 ' O ' ' A' ' 123' ' ' ILE . 1.6 mm? -68.37 -31.5 70.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.264 -0.874 . . . . 0.0 110.833 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.846 0.355 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.84 161.71 20.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.084 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.439 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 10.8 mm -118.09 129.49 25.33 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 21.5 Cg_exo -64.62 127.54 19.08 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.39 2.06 . . . . 0.0 112.4 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.505 ' N ' ' O ' ' A' ' 29' ' ' LEU . 27.5 mm -91.69 -19.68 6.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.135 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.618 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 4.0 tptt 176.54 110.73 0.02 OUTLIER 'General case' 0 C--O 1.216 -0.676 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.212 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.686 ' HB3' HG23 ' A' ' 28' ' ' THR . 19.5 pt20 -129.88 112.7 13.81 Favored 'General case' 0 C--N 1.313 -1.019 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.597 179.471 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.4 p -166.94 -175.17 2.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.153 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.656 ' CE1' HD11 ' A' ' 41' ' ' ILE . 3.2 m-85 -83.28 140.13 32.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.059 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.842 HD23 ' HB3' ' A' ' 104' ' ' PHE . 6.5 mp -132.99 158.05 43.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.485 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.475 HD23 ' HB2' ' A' ' 22' ' ' TRP . 1.1 mp -93.96 135.01 35.75 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.15 179.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.464 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.1 OUTLIER -124.09 120.57 32.77 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.974 0.416 . . . . 0.0 111.343 -179.493 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.482 ' HG2' ' CE2' ' A' ' 22' ' ' TRP . 7.8 mtp-105 -54.62 148.17 13.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.14 179.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.1 t -88.63 -57.46 2.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 152.6 83.75 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.583 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 178.88 102.45 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.783 0.325 . . . . 0.0 110.88 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.56 -42.8 95.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.02 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.58 -36.27 73.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -147.23 93.76 2.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.706 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.463 ' HD2' ' HG2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -56.46 163.12 1.85 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.073 0.463 . . . . 0.0 111.12 -179.803 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -162.88 98.16 0.96 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.81 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.529 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 3.3 m95 -95.69 142.24 28.22 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.386 -178.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -117.15 156.04 28.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.564 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.48 123.63 19.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.026 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -125.25 -177.05 3.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.664 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.507 ' CE1' ' CG ' ' A' ' 44' ' ' TYR . 52.7 t80 -137.84 114.95 10.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.132 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.713 HG21 HD22 ' A' ' 10' ' ' LEU . 1.6 t -120.9 146.34 25.99 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.295 0 CA-C-O 120.945 0.402 . . . . 0.0 111.845 -179.213 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.686 HG23 ' HB3' ' A' ' 7' ' ' GLN . 95.7 m -138.77 110.84 7.3 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.028 177.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.85 ' CD2' HD13 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -89.25 115.69 26.93 Favored 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 177.906 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.6 t -105.43 161.19 14.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.06 0.457 . . . . 0.0 111.484 -178.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.7 p -76.69 1.86 15.87 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.212 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 32.2 p30 -89.56 26.11 1.81 Allowed 'General case' 0 CA--C 1.521 -0.145 0 CA-C-O 120.759 0.314 . . . . 0.0 111.375 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.43 ' HA2' ' HB3' ' A' ' 122' ' ' GLN . . . 53.13 39.61 58.12 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.533 -0.842 . . . . 0.0 111.804 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.524 ' N ' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -138.73 123.61 18.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.973 0.416 . . . . 0.0 111.518 -179.431 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.896 HD23 HG21 ' A' ' 94' ' ' ILE . 3.7 tp -100.0 116.88 33.07 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 178.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.482 HD23 ' HB3' ' A' ' 52' ' ' GLU . 0.4 OUTLIER -113.31 149.27 34.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.045 0.45 . . . . 0.0 111.853 -178.866 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.447 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -158.24 130.61 7.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.277 179.247 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.497 ' CD2' ' HA2' ' A' ' 50' ' ' GLY . 0.1 OUTLIER -118.83 160.32 40.99 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.781 -179.465 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -50.56 -33.56 39.39 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.585 2.19 . . . . 0.0 112.394 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.3 t -167.09 -175.45 2.99 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.843 HG22 HD12 ' A' ' 45' ' ' ILE . 3.4 mp -63.16 -44.13 99.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.859 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.495 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 18.0 m120 -51.9 -28.98 18.1 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.31 0.576 . . . . 0.0 110.127 179.304 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.427 ' CB ' ' HB3' ' A' ' 38' ' ' HIS . 1.7 m-20 -76.87 -38.59 53.39 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.822 179.506 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.507 ' CG ' ' CE1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -70.76 -51.19 28.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.254 0.55 . . . . 0.0 110.208 179.612 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.843 HD12 HG22 ' A' ' 41' ' ' ILE . 20.4 mt -59.84 -61.94 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.192 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.495 ' CD2' ' O ' ' A' ' 42' ' ' ASN . 13.4 m-70 -73.53 -24.43 60.14 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.773 -1.103 . . . . 0.0 112.27 -178.566 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.422 ' HA ' ' O ' ' A' ' 43' ' ' ASP . 9.9 m 77.25 74.3 0.07 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.924 0.392 . . . . 0.0 111.325 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 31.9 p -123.43 120.58 33.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 179.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 77.63 -60.77 0.42 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.512 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.497 ' HA2' ' CD2' ' A' ' 38' ' ' HIS . . . 44.09 88.47 0.01 OUTLIER Glycine 0 CA--C 1.517 0.203 0 CA-C-N 115.49 -0.777 . . . . 0.0 113.277 179.587 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.438 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . 13.4 mmtt -84.45 129.37 34.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.736 0.303 . . . . 0.0 110.656 179.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.482 ' HB3' HD23 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -131.03 137.67 49.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.167 0.508 . . . . 0.0 111.146 -179.749 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.545 ' CE ' ' CG ' ' A' ' 102' ' ' TRP . 0.3 OUTLIER -121.99 122.07 38.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.365 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.48 130.67 43.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.585 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.745 HD13 ' CB ' ' A' ' 122' ' ' GLN . 14.0 mt -95.56 25.83 4.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.495 -179.555 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.19 -61.73 1.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.785 0.326 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.08 52.09 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.625 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.599 HG22 ' O ' ' A' ' 95' ' ' VAL . 0.5 OUTLIER -102.25 161.95 13.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.047 -179.877 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.07 167.29 18.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.444 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.6 m -128.58 119.12 49.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.032 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.731 ' HE3' HG21 ' A' ' 95' ' ' VAL . 5.2 mttm -112.4 162.97 14.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.083 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.434 ' HA ' ' HD3' ' A' ' 63' ' ' PRO . 2.4 m -144.0 132.65 11.15 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.039 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 62' ' ' VAL . 18.7 Cg_exo -65.97 66.55 0.43 Allowed 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.499 2.133 . . . . 0.0 112.07 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 62' ' ' VAL . . . 125.75 74.92 0.23 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.349 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.2 101.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.855 0.359 . . . . 0.0 111.156 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.436 ' HG2' ' HD2' ' A' ' 67' ' ' PRO . 8.1 mtt180 -174.06 170.25 1.77 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.474 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.436 ' HD2' ' HG2' ' A' ' 66' ' ' ARG . 67.1 Cg_endo -74.38 118.55 5.4 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.375 2.05 . . . . 0.0 112.266 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.443 ' HB2' ' CZ ' ' A' ' 90' ' ' PHE . 99.0 Cg_endo -79.31 59.66 7.49 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.47 2.113 . . . . 0.0 112.392 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -145.71 111.05 5.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.942 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -90.63 -56.35 3.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.125 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 41.3 mt -144.55 -57.04 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.8 m -151.59 -161.3 1.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.731 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.62 17.66 9.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.037 0.446 . . . . 0.0 111.651 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -132.7 139.07 47.49 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.727 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -98.93 147.52 18.52 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.585 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.09 80.27 1.58 Allowed 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.559 2.172 . . . . 0.0 112.289 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.61 137.87 48.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.75 -31.17 32.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 98.8 p -152.49 42.63 0.65 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.823 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 69.59 56.21 8.81 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.525 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.7 m -134.47 167.37 20.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.789 0.328 . . . . 0.0 110.939 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -111.23 152.31 27.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.084 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -80.78 -110.05 0.3 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.502 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -129.17 -78.57 0.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.867 0.365 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.8 94.34 0.09 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.08 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.86 71.64 0.22 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.794 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.67 -24.12 61.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.032 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -92.22 34.08 1.05 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.33 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -93.44 103.9 16.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.52 179.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.502 ' CD1' ' CD1' ' A' ' 109' ' ' PHE . 3.9 m-85 -87.48 104.01 16.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.291 -179.37 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -140.95 129.87 23.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.362 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.617 ' CE1' HD11 ' A' ' 94' ' ' ILE . 30.3 p90 -123.64 159.26 29.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.859 0.361 . . . . 0.0 111.169 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.412 HD23 ' HB2' ' A' ' 103' ' ' HIS . 0.6 OUTLIER -120.35 149.63 42.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.194 -179.719 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.896 HG21 HD23 ' A' ' 35' ' ' LEU . 10.5 mm -122.24 108.45 21.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.347 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.78 HG22 HG23 ' A' ' 101' ' ' THR . 62.6 t -100.32 132.43 45.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.974 0.416 . . . . 0.0 111.79 -179.443 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.471 ' HA ' HG22 ' A' ' 58' ' ' THR . 0.2 OUTLIER -95.81 -174.08 3.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.255 179.243 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 52.7 p -88.37 -0.08 56.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.595 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.5 t -114.71 22.84 13.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.931 0.396 . . . . 0.0 110.951 179.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 83.87 -21.65 9.24 Favored Glycine 0 CA--C 1.52 0.358 0 C-N-CA 120.704 -0.76 . . . . 0.0 113.25 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -54.09 133.44 43.91 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.93 0.365 . . . . 0.0 110.747 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.78 HG23 HG22 ' A' ' 95' ' ' VAL . 2.8 m -133.5 114.75 13.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.993 0.425 . . . . 0.0 111.66 -179.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.642 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 36.7 m0 -93.8 105.53 17.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.161 178.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.529 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.7 OUTLIER -96.22 115.92 28.19 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.415 -0.514 . . . . 0.0 110.198 179.062 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.842 ' HB3' HD23 ' A' ' 10' ' ' LEU . 18.2 m-85 -121.64 163.1 19.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.258 0.551 . . . . 0.0 111.737 -179.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.436 ' HB3' ' CB ' ' A' ' 11' ' ' LEU . 37.8 tt0 -130.26 101.98 6.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.631 178.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.646 ' HB3' ' HB2' ' A' ' 112' ' ' ARG . . . -53.35 132.0 38.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.743 -179.139 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -67.84 -32.38 72.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.461 179.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.2 m -112.12 146.89 37.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.465 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.502 ' CD1' ' CD1' ' A' ' 90' ' ' PHE . 13.5 m-85 -66.04 -36.52 83.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.205 -179.65 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -73.63 -40.99 63.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.067 0.46 . . . . 0.0 110.749 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.14 -38.37 79.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.075 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.646 ' HB2' ' HB3' ' A' ' 106' ' ' ALA . 0.0 OUTLIER -56.55 -47.77 78.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.977 -179.708 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.53 ' O ' HG12 ' A' ' 116' ' ' VAL . 0.7 OUTLIER -66.55 -33.17 75.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.617 179.869 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.485 ' HB1' ' HD3' ' A' ' 6' ' ' LYS . . . -67.67 -46.83 71.24 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 179.246 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.702 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 60.1 m95 -60.79 -49.72 76.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.947 179.163 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.53 HG12 ' O ' ' A' ' 113' ' ' ASP . 1.0 OUTLIER -57.57 -34.65 47.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.96 0.41 . . . . 0.0 110.358 179.668 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.406 ' O ' ' CB ' ' A' ' 121' ' ' SER . 34.6 tt0 -80.52 -31.45 37.09 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.172 179.178 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.452 ' HB2' HG22 ' A' ' 5' ' ' ILE . . . -66.12 -48.09 72.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.473 179.497 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.701 HG13 HD21 ' A' ' 29' ' ' LEU . 2.7 mp -65.33 -48.84 81.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.987 179.245 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.48 ' HA ' HD12 ' A' ' 123' ' ' ILE . 7.2 mm-40 -64.74 -32.78 74.62 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.212 179.25 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.406 ' CB ' ' O ' ' A' ' 117' ' ' GLN . 4.8 m -66.48 -44.9 81.4 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.384 179.541 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.745 ' CB ' HD13 ' A' ' 55' ' ' LEU . 71.6 mm-40 -65.1 -35.65 81.81 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.447 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.48 HD12 ' HA ' ' A' ' 120' ' ' GLU . 18.8 mt -72.49 -34.95 49.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.963 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.6 -36.29 78.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.516 179.61 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.51 -29.94 57.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.991 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.3 m -81.14 -33.81 32.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.113 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.3 -64.51 0.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.987 0.422 . . . . 0.0 110.908 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.925 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.304 0 CA-C-O 120.834 0.349 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.86 159.97 23.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.095 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.4 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 1.8 mp -112.77 133.62 21.89 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.098 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 12.4 Cg_exo -69.72 127.11 14.16 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.468 2.112 . . . . 0.0 112.305 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.539 ' N ' HD12 ' A' ' 5' ' ' ILE . 1.4 mp -90.93 -20.46 6.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.703 179.447 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.607 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 0.8 OUTLIER -176.54 110.59 0.09 Allowed 'General case' 0 C--O 1.216 -0.661 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 179.087 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.771 ' HB2' HG23 ' A' ' 28' ' ' THR . 8.7 tt0 -129.07 109.4 11.16 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-O 120.793 0.33 . . . . 0.0 110.305 179.366 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.7 -175.12 3.67 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.082 -179.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.521 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.5 OUTLIER -85.17 141.45 30.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.959 -179.829 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.832 HD23 ' HB3' ' A' ' 104' ' ' PHE . 8.5 mp -132.65 158.02 43.34 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.451 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.494 HD23 ' HB2' ' A' ' 22' ' ' TRP . 1.2 tp -90.81 135.23 33.86 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 179.27 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.436 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.1 OUTLIER -123.66 109.86 14.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.229 -179.423 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.441 ' HB3' ' CE2' ' A' ' 22' ' ' TRP . 0.1 OUTLIER -63.14 136.13 57.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.97 179.908 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 49.1 m -134.04 82.69 1.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 165.84 -167.85 39.36 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.476 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -64.57 178.66 0.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.859 0.361 . . . . 0.0 110.907 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 m -78.65 -42.6 28.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.953 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.46 -44.01 88.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.854 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.2 m120 -108.64 90.75 3.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.721 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.483 ' HD3' ' CZ2' ' A' ' 22' ' ' TRP . 34.1 mttt -83.16 158.66 22.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.154 0.502 . . . . 0.0 111.205 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -162.34 97.71 1.01 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.713 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.583 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 3.2 m95 -93.15 131.87 37.82 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.394 -178.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.6 mtpp -110.29 155.72 21.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.433 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.2 mmtp -63.15 120.53 11.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.918 0.389 . . . . 0.0 110.781 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -125.52 -177.2 3.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.681 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.478 ' O ' ' HA ' ' A' ' 37' ' ' TYR . 43.0 t80 -133.73 131.67 39.68 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.359 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.727 HG21 HD22 ' A' ' 10' ' ' LEU . 1.4 t -136.56 146.59 28.5 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.277 0 CA-C-O 120.918 0.39 . . . . 0.0 111.639 -179.53 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.771 HG23 ' HB2' ' A' ' 7' ' ' GLN . 85.1 m -138.82 110.85 7.28 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.434 178.061 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.716 HD23 ' CZ3' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -89.32 115.08 26.53 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 177.495 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.465 ' C ' HD13 ' A' ' 5' ' ' ILE . 30.8 t -104.67 165.02 11.34 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.159 0.504 . . . . 0.0 111.654 -178.123 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.447 ' HB3' HD11 ' A' ' 5' ' ' ILE . 22.0 p -79.84 1.06 28.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.097 179.654 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -89.68 26.07 1.86 Allowed 'General case' 0 CA--C 1.521 -0.151 0 CA-C-O 120.729 0.3 . . . . 0.0 111.315 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 53.29 39.43 58.82 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.562 -0.827 . . . . 0.0 111.389 -179.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.456 ' N ' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -139.16 137.31 35.96 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 121.057 0.456 . . . . 0.0 111.396 -179.402 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.79 HD23 HG21 ' A' ' 94' ' ' ILE . 1.1 tp -117.19 117.29 29.17 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.884 179.203 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.861 HD23 ' HG2' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -114.26 152.49 31.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.096 -179.516 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.478 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -156.2 131.41 9.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.215 0.531 . . . . 0.0 111.099 179.348 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.46 ' CD2' ' HA3' ' A' ' 50' ' ' GLY . 0.7 OUTLIER -115.23 161.54 29.12 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.831 -179.528 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_exo -55.89 -38.02 95.12 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.603 2.202 . . . . 0.0 112.582 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.2 m -155.37 -175.57 5.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 0.0 111.196 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.765 HG22 HD12 ' A' ' 45' ' ' ILE . 3.4 mp -67.81 -43.6 86.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.514 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 6.2 m-20 -51.86 -26.45 10.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.353 0.597 . . . . 0.0 110.121 179.175 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.467 ' HB3' ' O ' ' A' ' 48' ' ' THR . 68.9 m-20 -76.73 -40.41 48.65 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.753 179.552 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -70.96 -51.09 27.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.23 0.538 . . . . 0.0 110.09 179.582 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.765 HD12 HG22 ' A' ' 41' ' ' ILE . 18.6 mt -58.08 -62.07 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.081 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.514 ' CD2' ' O ' ' A' ' 42' ' ' ASN . 14.3 m-70 -73.5 -24.43 60.18 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 114.77 -1.105 . . . . 0.0 112.016 -178.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.9 t 77.08 72.51 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.004 0.431 . . . . 0.0 111.097 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.467 ' O ' ' HB3' ' A' ' 43' ' ' ASP . 43.8 p -147.27 117.28 7.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.045 179.41 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 67.52 88.21 0.11 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.846 -178.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.46 ' HA3' ' CD2' ' A' ' 38' ' ' HIS . . . -145.02 91.39 0.16 Allowed Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 111.499 -0.64 . . . . 0.0 111.499 -179.681 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 36' ' ' LEU . 3.4 tttm -68.29 142.8 55.45 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.876 0.37 . . . . 0.0 111.378 -179.237 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.861 ' HG2' HD23 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -131.74 162.27 30.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.308 179.77 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.658 ' HE3' ' CE2' ' A' ' 102' ' ' TRP . 5.7 ptp -147.02 153.18 39.72 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.049 0.452 . . . . 0.0 111.544 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.408 ' O ' HG23 ' A' ' 58' ' ' THR . 1.0 OUTLIER -81.66 126.81 32.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.811 -0.632 . . . . 0.0 109.5 178.908 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.801 HD13 ' CB ' ' A' ' 122' ' ' GLN . 3.5 mt -90.08 22.64 3.15 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -178.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.1 tt -83.24 -61.62 1.8 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.809 0.338 . . . . 0.0 110.721 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.2 mtm180 -108.82 51.85 0.73 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.497 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.6 HG22 ' O ' ' A' ' 95' ' ' VAL . 0.3 OUTLIER -103.1 161.91 13.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.008 -179.722 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.78 166.83 22.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.508 179.634 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.5 m -126.73 132.75 69.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.902 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.539 ' HE3' HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -121.25 163.61 18.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.996 0.427 . . . . 0.0 111.441 -179.492 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.514 HG21 ' HD3' ' A' ' 68' ' ' PRO . 14.1 t -147.56 102.51 3.72 Favored Pre-proline 0 C--N 1.331 -0.221 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.812 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.806 ' HD3' HD12 ' A' ' 93' ' ' LEU . 92.4 Cg_endo -86.34 127.8 2.94 Favored 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 122.782 2.322 . . . . 0.0 112.845 -179.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.25 -25.9 20.08 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.976 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -137.55 169.79 17.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.946 0.403 . . . . 0.0 111.369 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.483 ' HB3' ' HD2' ' A' ' 67' ' ' PRO . 0.2 OUTLIER -83.39 169.03 18.77 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.679 179.883 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.483 ' HD2' ' HB3' ' A' ' 66' ' ' ARG . 71.2 Cg_exo -52.15 129.71 32.2 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.327 2.018 . . . . 0.0 112.116 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.809 ' HG2' HG11 ' A' ' 116' ' ' VAL . 24.3 Cg_endo -61.15 84.28 0.08 OUTLIER 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.518 2.146 . . . . 0.0 112.259 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 -143.71 158.23 43.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.833 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.91 -29.66 64.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.0 mt -80.23 -29.79 12.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.203 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 70.0 m 62.64 147.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.942 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.7 17.59 10.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.843 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -159.22 139.95 12.51 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.995 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 175.69 59.06 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.516 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.41 -30.83 6.22 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.586 2.191 . . . . 0.0 112.44 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 68.1 m -120.97 158.15 28.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.37 -31.26 20.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.977 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 34.7 t -140.09 76.91 1.58 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -79.52 102.6 1.99 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.503 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.3 t -65.05 176.87 1.12 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.81 0.338 . . . . 0.0 110.912 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 60.51 157.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 140.5 -63.95 0.53 Allowed Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.496 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 60.18 86.74 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.741 0.305 . . . . 0.0 110.926 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -138.32 171.52 14.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.036 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -89.86 114.97 26.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.816 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -59.17 -25.42 63.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.046 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.463 ' HA ' ' CE2' ' A' ' 109' ' ' PHE . 13.8 mt-10 -109.56 67.65 0.65 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.996 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -131.5 103.56 6.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.952 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.597 ' N ' ' CD1' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -121.96 117.81 27.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.926 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -146.61 131.6 18.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.637 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.652 ' CE2' HD11 ' A' ' 94' ' ' ILE . 4.6 p90 -130.14 142.85 50.55 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.822 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.806 HD12 ' HD3' ' A' ' 63' ' ' PRO . 1.2 mt -105.1 150.31 25.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.067 -179.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.79 HG21 HD23 ' A' ' 35' ' ' LEU . 7.7 mm -125.17 112.44 31.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.958 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.715 HG22 HG23 ' A' ' 101' ' ' THR . 84.8 t -103.95 129.29 56.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.906 0.384 . . . . 0.0 111.473 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.492 ' HA ' HG22 ' A' ' 58' ' ' THR . 86.2 p -93.96 -174.13 3.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.519 179.555 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 6.8 p -80.21 -21.66 42.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.158 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.2 t -97.91 24.21 7.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.93 0.395 . . . . 0.0 111.241 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 76.89 -8.11 31.32 Favored Glycine 0 CA--C 1.52 0.404 0 C-N-CA 120.785 -0.721 . . . . 0.0 113.604 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -58.55 118.62 5.82 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 117.316 0.558 . . . . 0.0 110.437 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.715 HG23 HG22 ' A' ' 95' ' ' VAL . 1.2 m -115.41 114.81 25.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.988 0.423 . . . . 0.0 111.751 -179.427 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.658 ' CE2' ' HE3' ' A' ' 53' ' ' MET . 33.3 m0 -101.0 105.58 16.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.581 179.165 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.583 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.9 OUTLIER -93.8 116.14 28.6 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.105 178.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.832 ' HB3' HD23 ' A' ' 10' ' ' LEU . 20.0 m-85 -122.44 158.89 28.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.423 0.63 . . . . 0.0 111.895 -179.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.446 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 23.3 tt0 -127.5 104.78 8.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.135 -0.938 . . . . 0.0 109.57 178.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.666 ' HB3' ' HB3' ' A' ' 112' ' ' ARG . . . -52.07 129.96 28.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.795 -179.101 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -68.85 -35.93 77.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.364 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.47 147.76 32.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.345 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.548 ' CE1' ' CD1' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -65.8 -34.18 77.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.203 -179.613 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 16.4 tm-20 -74.05 -32.71 63.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.065 0.46 . . . . 0.0 110.763 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.45 -35.45 73.34 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.765 -179.365 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.712 ' O ' HG23 ' A' ' 116' ' ' VAL . 5.4 ppt_? -56.61 -40.06 74.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.707 0.289 . . . . 0.0 110.825 -179.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.85 -48.61 24.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.571 179.361 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.407 ' O ' ' N ' ' A' ' 118' ' ' ALA . . . -52.6 -52.27 56.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.432 179.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.716 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 55.6 m95 -57.26 -53.28 59.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.959 179.175 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.809 HG11 ' HG2' ' A' ' 68' ' ' PRO . 78.8 t -54.93 -34.45 31.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 CA-C-O 121.012 0.435 . . . . 0.0 110.122 179.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.4 ' O ' ' CB ' ' A' ' 121' ' ' SER . 0.9 OUTLIER -79.82 -29.27 40.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.206 178.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.496 ' HB2' HG22 ' A' ' 5' ' ' ILE . . . -67.82 -47.25 69.59 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-O 121.08 0.467 . . . . 0.0 110.431 179.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.677 HG13 HD21 ' A' ' 29' ' ' LEU . 3.3 mp -65.88 -48.54 81.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.018 179.303 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.754 ' HA ' HD12 ' A' ' 123' ' ' ILE . 3.0 mm-40 -65.43 -32.86 74.71 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.61 179.369 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 117' ' ' GLN . 58.2 p -69.15 -41.55 77.12 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.426 179.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.801 ' CB ' HD13 ' A' ' 55' ' ' LEU . 66.8 mm-40 -66.08 -31.07 71.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.267 179.422 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.754 HD12 ' HA ' ' A' ' 120' ' ' GLU . 17.8 mt -73.21 -38.29 54.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.931 179.706 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.401 HD23 ' O ' ' A' ' 124' ' ' LEU . 9.6 tt -68.69 -35.62 77.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.747 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.37 -30.52 57.6 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.947 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 8.2 t -78.49 -31.36 47.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.736 HD23 ' O ' ' A' ' 123' ' ' ILE . 3.1 mm? -66.18 -30.63 71.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.913 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.159 -0.924 . . . . 0.0 110.851 -179.976 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.438 0 CA-C-O 120.948 0.404 . . . . 0.0 111.134 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.46 ' HB1' ' HB3' ' A' ' 31' ' ' SER . . . -98.82 177.14 5.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.441 ' CG2' ' HD2' ' A' ' 4' ' ' PRO . 1.8 mt -126.31 137.64 30.69 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.441 ' HD2' ' CG2' ' A' ' 3' ' ' ILE . 18.0 Cg_endo -59.93 127.09 22.17 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.355 2.036 . . . . 0.0 112.376 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.438 HG22 ' HB2' ' A' ' 118' ' ' ALA . 47.2 mm -91.97 -20.27 6.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.13 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.619 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 0.0 OUTLIER 179.93 110.5 0.04 OUTLIER 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 179.278 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.791 ' HB3' HG23 ' A' ' 28' ' ' THR . 12.4 pt20 -129.47 109.74 11.3 Favored 'General case' 0 C--N 1.311 -1.095 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.624 179.454 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.83 -175.12 3.63 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.268 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.571 ' O ' HD12 ' A' ' 10' ' ' LEU . 2.0 m-85 -83.62 140.96 31.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.082 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 1.094 HD22 HG21 ' A' ' 27' ' ' VAL . 10.8 mp -131.5 156.31 45.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.514 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.674 HD22 ' OE1' ' A' ' 105' ' ' GLU . 1.2 tp -94.02 142.08 27.79 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 179.069 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.408 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.1 OUTLIER -134.6 111.11 9.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.906 0.384 . . . . 0.0 111.301 -179.631 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -55.46 148.0 16.35 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.073 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 71.5 m -156.51 30.84 0.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.923 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -128.65 -149.8 7.04 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.581 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -81.88 174.1 11.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.815 0.341 . . . . 0.0 110.91 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 85.3 p -75.11 -40.75 59.66 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.7 tp -76.55 -34.43 58.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.956 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -121.56 78.43 1.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.798 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.444 ' HD3' ' CZ2' ' A' ' 22' ' ' TRP . 4.0 mttt -59.12 167.82 1.58 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.116 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -164.64 98.18 0.78 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.958 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.539 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 3.9 m95 -94.27 138.74 31.92 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.373 -179.002 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.5 152.32 27.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.492 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.28 124.61 21.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.943 0.402 . . . . 0.0 110.944 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -124.92 -177.02 3.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.689 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.5 ' CZ ' ' CD2' ' A' ' 44' ' ' TYR . 50.0 t80 -138.22 114.99 10.67 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.301 -179.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 1.094 HG21 HD22 ' A' ' 10' ' ' LEU . 1.9 t -121.73 146.81 26.24 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.319 0 CA-C-O 121.038 0.447 . . . . 0.0 111.908 -179.382 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.791 HG23 ' HB3' ' A' ' 7' ' ' GLN . 90.5 m -138.75 111.03 7.4 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.883 177.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.748 ' CD2' HD13 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -89.34 117.45 28.3 Favored 'General case' 0 N--CA 1.445 -0.698 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 177.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.1 t -106.35 162.01 14.06 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.011 0.434 . . . . 0.0 111.303 -178.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.46 ' HB3' ' HB1' ' A' ' 2' ' ' ALA . 2.6 t -76.66 2.52 13.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.248 179.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 35.1 t-20 -91.06 26.04 2.27 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-O 120.826 0.346 . . . . 0.0 111.209 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.404 ' C ' HD12 ' A' ' 55' ' ' LEU . . . 52.42 41.85 56.1 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.476 -0.869 . . . . 0.0 111.633 -179.539 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.582 ' N ' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -139.18 123.62 18.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.02 0.438 . . . . 0.0 111.479 -179.352 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.986 HD23 HG21 ' A' ' 94' ' ' ILE . 2.7 tp -100.67 116.96 33.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.649 179.073 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.535 HD23 ' HB3' ' A' ' 52' ' ' GLU . 0.3 OUTLIER -113.35 146.45 39.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.969 0.414 . . . . 0.0 111.546 -179.15 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.448 ' HB2' HG22 ' A' ' 27' ' ' VAL . 0.1 OUTLIER -157.15 132.84 9.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.468 179.2 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.501 ' CD2' ' HA2' ' A' ' 50' ' ' GLY . 0.1 OUTLIER -120.95 160.77 43.5 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.824 -179.464 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_exo -51.01 -35.89 52.06 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.669 2.246 . . . . 0.0 112.353 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.9 t -163.76 -176.16 4.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.816 HG22 HD12 ' A' ' 45' ' ' ILE . 3.3 mp -63.26 -43.77 98.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.869 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.495 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 47.7 m-80 -51.83 -28.78 16.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.341 0.591 . . . . 0.0 110.136 179.232 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.443 ' HB2' ' CB ' ' A' ' 38' ' ' HIS . 1.3 m-20 -76.98 -37.79 54.45 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.638 179.533 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.5 ' CD2' ' CZ ' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -71.42 -51.32 24.59 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.25 0.548 . . . . 0.0 110.233 179.552 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.816 HD12 HG22 ' A' ' 41' ' ' ILE . 19.8 mt -59.9 -61.93 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.311 -0.858 . . . . 0.0 111.186 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.495 ' CD2' ' O ' ' A' ' 42' ' ' ASN . 13.1 m-70 -73.49 -24.47 60.19 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.766 -1.106 . . . . 0.0 112.212 -178.529 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' A' ' 43' ' ' ASP . 2.7 t 77.8 74.02 0.06 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.868 0.366 . . . . 0.0 111.271 179.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.442 ' O ' ' HB2' ' A' ' 49' ' ' HIS . 27.3 p -120.87 124.44 45.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.624 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.442 ' HB2' ' O ' ' A' ' 48' ' ' THR . 1.3 m-70 71.11 -60.16 0.52 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.405 -179.432 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.501 ' HA2' ' CD2' ' A' ' 38' ' ' HIS . . . 44.9 89.42 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.256 0 CA-C-N 115.571 -0.741 . . . . 0.0 113.272 179.484 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.412 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -83.87 131.37 34.88 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.689 0.281 . . . . 0.0 110.681 179.623 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.535 ' HB3' HD23 ' A' ' 36' ' ' LEU . 0.4 OUTLIER -132.11 133.28 44.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.152 0.501 . . . . 0.0 110.947 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.549 ' CE ' ' CG ' ' A' ' 102' ' ' TRP . 0.5 OUTLIER -118.91 120.1 36.28 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.345 -179.75 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.409 ' O ' HG23 ' A' ' 58' ' ' THR . 26.3 t0 -56.57 130.96 47.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.605 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.833 HD13 ' CB ' ' A' ' 122' ' ' GLN . 43.2 mt -95.09 24.18 5.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.42 -179.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.424 HD12 ' HB3' ' A' ' 126' ' ' SER . 26.3 tp -83.02 -57.37 3.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.758 0.313 . . . . 0.0 110.751 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 65.5 mtm180 -119.38 55.54 0.95 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.387 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.575 HG22 ' O ' ' A' ' 95' ' ' VAL . 0.6 OUTLIER -106.18 162.12 13.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.095 -179.858 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -131.98 168.86 17.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.761 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.713 HG11 HG13 ' A' ' 116' ' ' VAL . 21.6 t -127.0 125.0 65.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.812 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.768 ' HE3' HG21 ' A' ' 95' ' ' VAL . 3.4 mtmm -133.28 163.38 29.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.043 0.449 . . . . 0.0 111.355 -179.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.459 HG13 ' HD2' ' A' ' 63' ' ' PRO . 36.8 t -116.11 138.62 24.3 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.753 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.459 ' HD2' HG13 ' A' ' 62' ' ' VAL . 10.6 Cg_endo -53.79 85.31 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.796 2.331 . . . . 0.0 112.752 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.35 -55.59 4.63 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.936 -0.649 . . . . 0.0 112.833 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.48 172.37 1.59 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.885 0.374 . . . . 0.0 111.104 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.434 ' HB3' ' HD2' ' A' ' 67' ' ' PRO . 19.9 mmm-85 -94.77 169.12 10.03 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.583 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.434 ' HD2' ' HB3' ' A' ' 66' ' ' ARG . 63.8 Cg_exo -52.09 134.14 48.87 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.375 2.05 . . . . 0.0 112.169 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.32 167.57 24.77 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.576 2.184 . . . . 0.0 112.397 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 24.8 mtt180 -145.42 107.85 4.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.896 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.91 -52.34 66.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.312 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.0 mt -53.09 145.87 2.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.084 -179.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 15.5 m -133.14 48.99 2.35 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.923 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.75 17.56 10.2 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.807 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -63.26 175.46 0.95 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -80.12 -164.52 30.14 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.473 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.08 115.59 2.25 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.588 2.192 . . . . 0.0 112.264 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 65.5 m -134.64 80.88 1.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.992 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -77.17 -29.46 54.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.122 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 35.0 t 62.39 79.09 0.27 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.831 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -80.07 97.42 1.65 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.568 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.8 m 60.88 100.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.759 0.314 . . . . 0.0 110.942 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.26 -177.26 5.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.096 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -111.65 -83.27 1.32 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.471 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -67.49 -30.08 69.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.806 0.336 . . . . 0.0 110.923 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 62.33 32.14 17.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -130.62 31.14 4.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.858 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -58.97 -24.05 62.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.089 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -83.89 10.6 9.33 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.606 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 10.9 p-10 -59.76 109.55 0.95 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.831 0.348 . . . . 0.0 110.64 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.468 ' CD2' ' HA ' ' A' ' 109' ' ' PHE . 3.7 m-30 -101.73 103.9 14.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.931 0.396 . . . . 0.0 111.137 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.437 ' HB3' ' HE1' ' A' ' 103' ' ' HIS . 12.5 mp0 -151.1 129.95 12.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.401 179.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.603 ' CE1' HD11 ' A' ' 94' ' ' ILE . 25.9 p90 -124.9 153.7 42.24 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.812 0.339 . . . . 0.0 111.238 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -118.76 143.45 46.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.161 -179.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.986 HG21 HD23 ' A' ' 35' ' ' LEU . 11.1 mm -114.35 108.68 26.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.461 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.768 HG21 ' HE3' ' A' ' 61' ' ' LYS . 90.1 t -101.53 133.87 43.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.94 0.4 . . . . 0.0 111.611 -179.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.447 ' HA ' HG22 ' A' ' 58' ' ' THR . 0.1 OUTLIER -100.21 -173.94 2.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.249 179.239 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.53 -4.94 59.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.588 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 12.0 t -108.98 22.73 15.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.883 0.373 . . . . 0.0 111.266 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 80.64 -18.18 9.37 Favored Glycine 0 CA--C 1.521 0.455 0 C-N-CA 120.696 -0.764 . . . . 0.0 113.466 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.35 132.19 52.32 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 117.126 0.463 . . . . 0.0 110.702 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.45 HG23 HG22 ' A' ' 95' ' ' VAL . 18.1 m -130.41 114.91 16.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.491 -179.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.672 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 36.1 m0 -93.66 105.66 17.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.171 179.083 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.539 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.8 OUTLIER -94.82 116.54 28.86 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.746 179.544 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.825 ' CB ' HD23 ' A' ' 10' ' ' LEU . 19.7 m-85 -124.83 160.7 28.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.36 0.6 . . . . 0.0 112.006 -179.613 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.674 ' OE1' HD22 ' A' ' 11' ' ' LEU . 7.2 tm-20 -127.68 107.39 9.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.063 -0.971 . . . . 0.0 109.668 178.689 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.504 ' HB3' ' HB2' ' A' ' 112' ' ' ARG . . . -55.39 128.93 36.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.561 -179.168 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.63 -31.83 72.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.657 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.0 m -117.99 155.46 30.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.583 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.468 ' HA ' ' CD2' ' A' ' 90' ' ' PHE . 3.9 m-85 -65.99 -45.98 79.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.061 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.35 -32.83 74.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.893 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.42 -34.71 78.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.208 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.612 ' O ' HG23 ' A' ' 116' ' ' VAL . 0.0 OUTLIER -56.71 -49.36 75.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.02 -179.725 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -68.04 -42.39 80.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.857 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 118' ' ' ALA . . . -55.12 -53.37 56.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.419 179.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.728 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 55.6 m95 -57.87 -53.39 58.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.863 179.015 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.713 HG13 HG11 ' A' ' 60' ' ' VAL . 86.5 t -55.84 -33.54 34.93 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 CA-C-O 120.937 0.398 . . . . 0.0 110.104 179.443 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -80.03 -29.56 39.34 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.26 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.438 ' HB2' HG22 ' A' ' 5' ' ' ILE . . . -68.74 -47.22 66.87 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.038 0.447 . . . . 0.0 110.447 179.605 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.698 HG13 HD21 ' A' ' 29' ' ' LEU . 3.3 mp -66.01 -46.45 88.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.115 179.421 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.616 ' HG2' HG21 ' A' ' 60' ' ' VAL . 3.8 mm-40 -66.42 -32.88 74.53 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.185 179.132 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 28.8 t -68.44 -46.04 70.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.557 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.833 ' CB ' HD13 ' A' ' 55' ' ' LEU . 2.3 mp0 -62.83 -33.91 76.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.302 179.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.451 ' HA ' ' O ' ' A' ' 55' ' ' LEU . 25.5 mt -74.26 -35.21 39.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.663 179.556 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 26.6 tp -68.76 -36.98 79.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.666 179.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.35 -31.44 58.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.021 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.424 ' HB3' HD12 ' A' ' 56' ' ' LEU . 37.6 m -80.82 -30.11 35.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.8 -30.69 69.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.806 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.937 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 120.896 0.379 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.47 140.95 29.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.034 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.2 mp -119.54 131.67 24.3 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.046 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -55.77 124.26 15.84 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.366 2.044 . . . . 0.0 112.473 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.635 ' O ' ' HD2' ' A' ' 6' ' ' LYS . 17.1 mm -82.79 -36.35 13.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.149 -0.932 . . . . 0.0 109.727 179.213 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.749 ' HD3' ' HB2' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -174.1 111.55 0.17 Allowed 'General case' 0 CA--C 1.507 -0.708 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.986 177.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.818 ' HB2' HG23 ' A' ' 28' ' ' THR . 0.2 OUTLIER -121.34 108.09 13.29 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.665 178.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -156.0 -175.0 5.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.12 -179.42 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.742 ' O ' HD12 ' A' ' 10' ' ' LEU . 3.1 m-85 -84.71 144.89 28.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.273 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 1.015 HD22 HG21 ' A' ' 27' ' ' VAL . 10.9 mp -135.48 160.94 36.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.259 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.496 HD23 ' HB2' ' A' ' 22' ' ' TRP . 1.1 tp -97.61 142.05 29.9 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 179.068 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.448 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.0 OUTLIER -129.39 109.23 10.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.819 0.343 . . . . 0.0 111.155 -179.622 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.434 ' HB3' ' CE2' ' A' ' 22' ' ' TRP . 8.8 ptt180 -60.68 147.96 40.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 179.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 26.2 t -141.17 100.3 3.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 143.39 -140.08 9.35 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.512 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -95.74 -175.13 3.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.807 0.337 . . . . 0.0 110.964 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.6 t -82.61 -42.33 18.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.8 mp -62.75 -42.16 99.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.836 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -111.93 82.34 1.61 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.678 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -78.2 157.91 29.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.374 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -167.89 99.32 0.46 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.843 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.564 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 3.7 m95 -94.44 143.63 26.25 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.488 -178.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -118.51 157.19 27.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.507 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -63.21 127.85 33.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.096 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.446 ' HG3' ' HB2' ' A' ' 12' ' ' LYS . 19.4 mmtt -129.34 -176.27 3.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.691 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.508 ' O ' ' HA ' ' A' ' 37' ' ' TYR . 39.4 t80 -139.69 114.94 9.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.534 -179.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 1.015 HG21 HD22 ' A' ' 10' ' ' LEU . 2.0 t -120.19 148.85 23.06 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.267 0 CA-C-O 121.012 0.434 . . . . 0.0 111.784 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.818 HG23 ' HB2' ' A' ' 7' ' ' GLN . 85.4 m -138.65 110.66 7.27 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.867 178.467 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.757 HD23 ' CZ3' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -88.83 114.01 24.99 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 178.258 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.5 p -101.61 154.83 18.51 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.148 0.499 . . . . 0.0 111.729 -178.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.8 t -74.96 -1.18 21.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.066 179.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -91.08 26.1 2.26 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-O 120.772 0.32 . . . . 0.0 111.019 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.4 ' HA2' ' HB3' ' A' ' 122' ' ' GLN . . . 55.32 43.26 84.55 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.567 -0.825 . . . . 0.0 111.555 -179.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.503 ' N ' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -139.31 123.99 18.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.03 0.443 . . . . 0.0 111.654 -179.395 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.823 HD23 HG21 ' A' ' 94' ' ' ILE . 1.1 tp -106.87 117.02 32.94 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.438 178.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.561 HD12 ' O ' ' A' ' 28' ' ' THR . 0.2 OUTLIER -115.48 142.6 46.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.007 0.432 . . . . 0.0 111.664 -179.106 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.508 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.5 OUTLIER -145.45 125.63 13.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.51 179.161 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.521 ' HB3' ' CB ' ' A' ' 43' ' ' ASP . 1.2 m80 -113.47 159.97 33.34 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.67 -179.468 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_exo -47.19 -49.88 12.08 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.627 2.218 . . . . 0.0 112.57 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.7 t -156.35 -173.03 4.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.132 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.678 HG22 HD12 ' A' ' 45' ' ' ILE . 3.4 mp -60.98 -43.25 95.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.518 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 21.9 m-80 -51.93 -26.94 11.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.286 0.565 . . . . 0.0 110.088 179.231 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.759 ' HA ' HG23 ' A' ' 48' ' ' THR . 5.1 m-20 -76.98 -41.01 44.74 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.756 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -70.94 -51.31 26.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.271 0.558 . . . . 0.0 109.956 179.406 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.678 HD12 HG22 ' A' ' 41' ' ' ILE . 23.9 mt -56.37 -61.8 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.979 179.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.518 ' CD2' ' O ' ' A' ' 42' ' ' ASN . 15.5 m-70 -73.64 -24.99 60.09 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.942 -1.026 . . . . 0.0 111.831 -178.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 m 75.72 73.35 0.09 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.893 0.377 . . . . 0.0 112.008 178.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.759 HG23 ' HA ' ' A' ' 43' ' ' ASP . 30.8 p -89.34 -154.22 0.3 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.049 178.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 12.7 t-160 -39.18 -56.73 1.44 Allowed 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.918 0.39 . . . . 0.0 111.45 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.469 ' HA2' ' CD2' ' A' ' 38' ' ' HIS . . . 57.39 99.13 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.719 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.446 ' HB3' ' CD1' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -79.2 137.79 37.57 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.781 0.324 . . . . 0.0 111.108 -179.888 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.42 ' HB2' ' CE1' ' A' ' 34' ' ' PHE . 1.1 pt-20 -130.56 133.05 45.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.487 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.529 ' CE ' ' CG ' ' A' ' 102' ' ' TRP . 0.7 OUTLIER -118.36 122.49 42.98 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.591 -179.619 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.66 131.95 52.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.416 179.65 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.668 HD13 ' CB ' ' A' ' 122' ' ' GLN . 14.4 mt -95.07 23.86 5.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.347 -179.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.15 -56.31 3.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.781 0.324 . . . . 0.0 110.82 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -121.0 53.54 1.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.992 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.577 HG22 ' O ' ' A' ' 95' ' ' VAL . 0.3 OUTLIER -106.93 161.96 14.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 179.911 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.97 165.44 23.14 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.826 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.645 HG21 ' HG3' ' A' ' 120' ' ' GLU . 6.9 m -129.81 131.11 66.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.593 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.428 ' O ' ' HB2' ' A' ' 93' ' ' LEU . 17.0 ptpt -154.09 164.75 37.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.104 0.478 . . . . 0.0 111.813 -179.365 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.673 HG21 ' HA ' ' A' ' 67' ' ' PRO . 28.8 t -121.47 139.1 29.18 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.506 179.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.446 ' HG3' ' NE2' ' A' ' 103' ' ' HIS . 87.3 Cg_endo -86.21 141.86 7.16 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 122.537 2.158 . . . . 0.0 112.565 -179.625 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.04 -53.53 4.66 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.504 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.52 166.62 22.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.736 0.303 . . . . 0.0 110.997 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.6 mtm180 -71.15 163.16 67.96 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.868 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.673 ' HA ' HG21 ' A' ' 62' ' ' VAL . 14.3 Cg_endo -57.15 118.75 5.67 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.592 2.195 . . . . 0.0 112.089 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -50.58 139.5 38.3 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.612 2.208 . . . . 0.0 112.454 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -65.16 151.29 46.46 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.804 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.85 -50.58 16.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.047 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.0 mp -89.37 -49.32 14.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.19 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 58.33 84.97 0.1 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.945 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.77 17.64 10.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.745 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER 59.82 79.84 0.22 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -93.18 -177.75 40.4 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.478 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -52.33 173.17 0.13 Allowed 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.507 2.138 . . . . 0.0 112.272 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 98.2 p -153.04 142.99 22.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.54 -31.32 60.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.39 88.45 2.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -92.67 55.69 2.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.534 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.1 t -155.5 91.0 1.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.746 0.308 . . . . 0.0 110.93 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 59.88 -175.93 0.1 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.038 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 90.7 76.45 1.32 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.497 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.18 74.81 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.794 0.33 . . . . 0.0 110.855 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -121.2 117.84 28.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.999 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 59.44 31.06 20.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.783 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -61.08 -24.22 66.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.048 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -83.62 56.25 3.54 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.13 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 18.8 p-10 -105.44 104.39 14.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.431 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.509 ' CE1' ' CD2' ' A' ' 109' ' ' PHE . 4.6 m-85 -87.62 103.89 16.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.23 -179.534 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.41 ' HB3' ' HE1' ' A' ' 103' ' ' HIS . 26.0 mt-10 -146.63 132.78 19.35 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.458 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.633 ' CE1' HD11 ' A' ' 94' ' ' ILE . 18.9 p90 -128.47 148.79 50.75 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.89 0.376 . . . . 0.0 111.608 -179.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.453 HD23 ' HB2' ' A' ' 103' ' ' HIS . 3.6 mt -110.74 142.84 42.14 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.978 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.823 HG21 HD23 ' A' ' 35' ' ' LEU . 10.3 mm -115.33 108.49 25.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.254 179.419 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.577 ' O ' HG22 ' A' ' 58' ' ' THR . 99.6 t -98.56 128.51 50.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.993 0.425 . . . . 0.0 111.655 -179.359 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.501 ' HA ' HG22 ' A' ' 58' ' ' THR . 0.2 OUTLIER -91.47 -174.08 3.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.285 179.333 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 25.8 t -83.63 -20.2 34.09 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.2 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.5 t -100.21 24.11 9.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.857 0.361 . . . . 0.0 111.044 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 83.79 -20.53 11.83 Favored Glycine 0 CA--C 1.52 0.385 0 C-N-CA 120.657 -0.782 . . . . 0.0 113.292 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -48.51 124.99 8.97 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 117.1 0.45 . . . . 0.0 110.756 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.449 ' HA ' ' O ' ' A' ' 94' ' ' ILE . 10.9 m -125.08 114.83 19.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.044 0.45 . . . . 0.0 111.833 -179.304 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.641 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 35.7 m0 -96.74 109.08 21.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.385 178.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.564 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.8 OUTLIER -99.11 116.5 31.48 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.731 179.341 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.844 ' CB ' HD23 ' A' ' 10' ' ' LEU . 15.3 m-85 -125.47 160.17 30.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.361 0.6 . . . . 0.0 112.044 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.479 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 0.1 OUTLIER -127.68 105.79 8.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.56 178.655 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.662 ' HB3' ' HB2' ' A' ' 112' ' ' ARG . . . -52.75 127.94 24.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.67 -179.176 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.65 -27.55 62.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.748 179.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.57 159.12 24.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.537 179.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.509 ' CD2' ' CE1' ' A' ' 90' ' ' PHE . 2.5 m-30 -65.8 -55.66 15.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.051 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -64.43 -32.54 74.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.057 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.628 ' HB3' ' HB1' ' A' ' 106' ' ' ALA . 3.3 tt0 -56.51 -42.6 78.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.321 -179.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.81 ' O ' HG23 ' A' ' 116' ' ' VAL . 2.1 ttp85 -56.85 -49.73 74.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.777 0.322 . . . . 0.0 111.097 -179.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -62.66 -40.79 98.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.454 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.698 ' HB1' ' HE2' ' A' ' 6' ' ' LYS . . . -59.41 -53.4 58.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.201 179.215 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.757 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 45.4 m95 -56.5 -50.57 71.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.625 178.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 112' ' ' ARG . 60.5 t -57.06 -35.4 47.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.798 179.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.31 -33.89 49.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.578 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.749 ' HB2' ' HD3' ' A' ' 6' ' ' LYS . . . -67.42 -44.74 78.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.973 0.416 . . . . 0.0 110.29 179.393 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.666 HG13 HD21 ' A' ' 29' ' ' LEU . 1.6 mp -62.85 -50.93 77.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.736 178.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.91 ' HA ' HD12 ' A' ' 123' ' ' ILE . 1.2 mt-10 -65.33 -32.72 74.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.049 179.077 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 28.2 t -67.65 -44.06 78.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.505 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.668 ' CB ' HD13 ' A' ' 55' ' ' LEU . 66.7 mm-40 -64.19 -31.93 73.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.428 179.562 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.91 HD12 ' HA ' ' A' ' 120' ' ' GLU . 21.5 mt -68.98 -44.42 81.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.099 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.9 tt -64.72 -36.5 84.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.617 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.33 -31.16 57.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.95 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 4.5 m -78.24 -29.82 48.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 3.0 mt -75.49 -73.5 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.855 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.209 -0.901 . . . . 0.0 110.864 -179.941 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.82 0.343 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -119.69 172.67 7.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.4 ' O ' ' HB2' ' A' ' 31' ' ' SER . 10.6 mt -132.95 133.04 22.77 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.821 179.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -58.75 127.72 25.49 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.302 2.001 . . . . 0.0 112.283 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.468 ' HB ' ' HB3' ' A' ' 29' ' ' LEU . 18.4 mm -93.27 -19.72 6.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.275 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.612 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 0.0 OUTLIER 175.87 110.52 0.02 OUTLIER 'General case' 0 C--O 1.216 -0.705 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.122 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.734 ' HB3' HG23 ' A' ' 28' ' ' THR . 15.5 pt20 -131.31 114.64 15.26 Favored 'General case' 0 C--N 1.312 -1.039 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.577 179.55 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.25 -175.15 1.88 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.313 -179.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.548 ' CE1' HD11 ' A' ' 41' ' ' ILE . 3.8 m-85 -81.85 131.82 35.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.235 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.792 HD23 ' HB3' ' A' ' 104' ' ' PHE . 4.5 mp -125.27 153.66 42.88 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.341 179.585 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.492 ' CD2' ' HB2' ' A' ' 22' ' ' TRP . 1.5 tp -90.52 132.1 35.88 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.21 179.365 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.418 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.1 OUTLIER -118.48 110.41 17.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.127 -179.391 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.455 ' HB3' ' CE2' ' A' ' 22' ' ' TRP . 3.2 ptt180 -57.99 148.09 27.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.953 179.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.6 t -151.49 118.37 5.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 131.89 -152.62 20.18 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.582 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -80.38 168.96 18.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.782 0.325 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.1 t -73.0 -37.93 66.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 tt -67.75 -40.43 84.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -114.46 94.93 5.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.612 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.462 ' HD3' ' CZ2' ' A' ' 22' ' ' TRP . 18.5 mttt -81.28 159.77 24.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.23 -179.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -163.55 98.3 0.89 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.772 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.523 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 3.2 m95 -94.08 128.12 40.29 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.31 -178.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.88 160.12 15.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.302 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.0 mmtm -63.01 122.59 16.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.956 0.408 . . . . 0.0 110.734 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.3 tptt -122.21 179.78 4.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.713 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.52 ' CE1' ' CG ' ' A' ' 44' ' ' TYR . 46.7 t80 -139.27 115.1 10.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.245 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.636 HG23 ' HB2' ' A' ' 10' ' ' LEU . 2.0 t -122.7 147.53 26.85 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.316 0 CA-C-O 120.973 0.416 . . . . 0.0 111.808 -179.18 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.734 HG23 ' HB3' ' A' ' 7' ' ' GLN . 91.5 m -138.81 110.52 7.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.032 177.695 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.749 HD21 HG13 ' A' ' 119' ' ' ILE . 0.2 OUTLIER -89.44 115.57 26.98 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 177.822 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 29.0 t -105.47 160.77 14.89 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.028 0.442 . . . . 0.0 111.383 -178.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.4 ' HB2' ' O ' ' A' ' 3' ' ' ILE . 4.4 t -76.19 2.24 13.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.278 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -89.84 26.12 1.89 Allowed 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.748 0.308 . . . . 0.0 111.357 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 53.61 39.88 61.67 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.659 -0.782 . . . . 0.0 111.699 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.51 ' N ' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -138.94 127.73 23.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.09 0.471 . . . . 0.0 111.359 -179.423 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.925 HD23 HG21 ' A' ' 94' ' ' ILE . 1.6 tp -105.46 116.96 32.83 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.519 179.042 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.71 HD23 ' CG ' ' A' ' 52' ' ' GLU . 0.5 OUTLIER -112.83 147.66 36.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.048 0.451 . . . . 0.0 111.569 -179.002 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.466 ' CE1' ' CB ' ' A' ' 51' ' ' LYS . 0.3 OUTLIER -156.07 129.87 8.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.484 179.251 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.503 ' CD2' ' HA2' ' A' ' 50' ' ' GLY . 0.1 OUTLIER -120.03 158.39 50.43 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.737 -179.478 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -48.5 -42.02 35.76 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.715 2.276 . . . . 0.0 112.478 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 25.0 t -155.84 -172.43 4.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.811 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.801 HG22 HD12 ' A' ' 45' ' ' ILE . 3.2 mp -66.68 -43.25 90.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.799 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.497 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 43.6 m-80 -52.04 -28.34 16.9 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.289 0.566 . . . . 0.0 110.116 179.12 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.425 ' HB2' ' CB ' ' A' ' 38' ' ' HIS . 1.3 m-20 -76.9 -39.09 52.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.776 179.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.52 ' CG ' ' CE1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -70.49 -51.23 30.5 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.205 0.526 . . . . 0.0 110.177 179.511 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.801 HD12 HG22 ' A' ' 41' ' ' ILE . 21.5 mt -59.57 -62.17 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.195 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.497 ' CD2' ' O ' ' A' ' 42' ' ' ASN . 13.8 m-70 -73.53 -24.59 60.16 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.798 -1.092 . . . . 0.0 112.231 -178.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.409 ' HA ' ' O ' ' A' ' 43' ' ' ASP . 1.8 m 77.72 74.21 0.06 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.896 0.379 . . . . 0.0 111.316 179.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 34.7 p -118.95 119.68 35.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 71.78 -59.84 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.541 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.503 ' HA2' ' CD2' ' A' ' 38' ' ' HIS . . . 45.29 90.06 0.01 OUTLIER Glycine 0 N--CA 1.453 -0.189 0 CA-C-N 115.466 -0.788 . . . . 0.0 113.219 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.466 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -80.54 130.29 35.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.735 0.302 . . . . 0.0 110.608 179.615 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.71 ' CG ' HD23 ' A' ' 36' ' ' LEU . 2.6 mt-10 -125.34 147.5 49.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.084 0.468 . . . . 0.0 110.953 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.697 ' HE2' ' CE2' ' A' ' 102' ' ' TRP . 0.6 OUTLIER -130.87 116.07 17.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.754 -179.741 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.4 p-10 -56.77 125.62 23.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.395 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.648 HD13 ' CB ' ' A' ' 122' ' ' GLN . 80.9 mt -93.74 33.05 1.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.533 -179.403 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.31 -53.69 5.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.834 0.35 . . . . 0.0 110.761 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.78 54.46 1.93 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.691 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.572 HG22 ' O ' ' A' ' 95' ' ' VAL . 0.2 OUTLIER -99.74 162.01 13.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.789 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.401 HG22 ' H ' ' A' ' 60' ' ' VAL . 0.2 OUTLIER -126.96 173.81 9.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.993 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.773 HG11 HG13 ' A' ' 116' ' ' VAL . 22.1 t -141.76 126.51 17.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.649 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.82 164.51 36.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.168 0.509 . . . . 0.0 111.896 -179.434 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.529 HG13 ' O ' ' A' ' 91' ' ' GLU . 3.4 t -119.67 142.03 32.15 Favored Pre-proline 0 C--N 1.332 -0.19 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.362 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.528 ' HD3' HD12 ' A' ' 93' ' ' LEU . 63.3 Cg_exo -51.66 90.32 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.334 2.022 . . . . 0.0 112.511 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 53.25 43.99 64.51 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.617 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.43 120.76 20.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.873 0.368 . . . . 0.0 110.978 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.46 ' HB2' ' HD2' ' A' ' 67' ' ' PRO . 9.0 ptp180 -57.98 164.98 2.85 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.763 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.466 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 77.5 Cg_exo -52.05 118.68 4.78 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.44 2.094 . . . . 0.0 112.124 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 67' ' ' PRO . 18.0 Cg_exo -66.98 59.52 0.58 Allowed 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.674 2.249 . . . . 0.0 112.99 -179.44 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.416 ' CD ' ' HB2' ' A' ' 67' ' ' PRO . 0.0 OUTLIER -85.67 75.05 10.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.736 179.601 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.08 -31.63 63.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.282 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.3 mp -82.41 -67.11 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.075 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.34 101.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.116 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.91 17.7 10.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.789 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -71.86 80.79 0.89 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.83 -170.61 39.95 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.415 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.64 -171.04 0.5 Allowed 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.454 2.103 . . . . 0.0 112.331 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.9 m -105.44 143.19 33.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.28 -44.73 51.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.166 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.6 m 56.65 83.89 0.09 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.968 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 172.31 -125.57 1.18 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.459 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 74.4 p -88.82 132.83 34.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.761 0.315 . . . . 0.0 110.83 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -175.69 -175.49 0.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.03 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -59.03 132.04 52.31 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.346 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -120.45 72.79 0.97 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.949 0.404 . . . . 0.0 110.916 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -97.19 115.91 28.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.184 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -98.7 31.48 2.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.818 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -66.3 -54.78 20.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.956 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 53.6 25.83 5.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.028 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -80.95 106.24 12.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.739 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.498 ' CZ ' ' CD2' ' A' ' 109' ' ' PHE . 4.2 m-85 -94.86 103.8 15.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.31 -179.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.529 ' O ' HG13 ' A' ' 62' ' ' VAL . 15.9 mp0 -151.05 139.25 20.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.253 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.646 ' CE2' HD11 ' A' ' 94' ' ' ILE . 3.3 p90 -133.38 145.63 50.51 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.96 0.409 . . . . 0.0 111.323 -179.551 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.528 HD12 ' HD3' ' A' ' 63' ' ' PRO . 0.8 OUTLIER -109.11 139.67 43.7 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.072 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.925 HG21 HD23 ' A' ' 35' ' ' LEU . 12.2 mm -110.31 108.46 25.48 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.09 179.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.572 ' O ' HG22 ' A' ' 58' ' ' THR . 87.3 t -103.38 134.66 43.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.219 0.533 . . . . 0.0 112.169 -179.078 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.55 ' OG ' HG22 ' A' ' 98' ' ' THR . 0.1 OUTLIER -102.38 179.27 4.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.45 -0.796 . . . . 0.0 109.871 178.825 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.41 ' N ' ' OG ' ' A' ' 96' ' ' SER . 0.0 OUTLIER -80.74 -6.45 58.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.68 -0.236 . . . . 0.0 111.513 -179.808 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.55 HG22 ' OG ' ' A' ' 96' ' ' SER . 11.3 t -108.22 22.26 16.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.991 0.424 . . . . 0.0 111.212 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 82.69 -21.21 7.83 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 120.732 -0.747 . . . . 0.0 113.272 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -52.05 123.39 10.37 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.954 0.377 . . . . 0.0 110.721 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.567 HG23 HG22 ' A' ' 95' ' ' VAL . 8.8 m -127.83 114.68 17.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.973 0.416 . . . . 0.0 111.597 -179.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.697 ' CE2' ' HE2' ' A' ' 53' ' ' MET . 35.7 m0 -97.71 108.02 20.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.31 178.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.523 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.8 OUTLIER -97.78 116.3 29.72 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.718 179.357 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.792 ' HB3' HD23 ' A' ' 10' ' ' LEU . 19.0 m-85 -123.27 166.93 14.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.307 0.575 . . . . 0.0 111.638 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.425 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 0.4 OUTLIER -132.23 106.18 7.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.953 179.087 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.655 ' HB3' ' HB2' ' A' ' 112' ' ' ARG . . . -52.39 127.94 23.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.649 -179.277 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.31 -27.47 67.35 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.739 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.21 158.58 29.11 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.678 179.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.498 ' CD2' ' CZ ' ' A' ' 90' ' ' PHE . 2.7 m-85 -66.16 -43.27 87.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.038 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -73.48 -32.82 64.51 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.009 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -61.05 -39.26 89.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.183 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.713 ' NH1' HG21 ' A' ' 116' ' ' VAL . 1.7 ttt-85 -56.76 -49.47 75.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.133 -179.712 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.26 -47.3 84.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.962 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -53.28 -52.39 59.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.742 0.306 . . . . 0.0 110.573 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.705 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 52.3 m95 -56.6 -52.29 65.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.973 179.088 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.773 HG13 HG11 ' A' ' 60' ' ' VAL . 66.7 t -55.35 -36.53 40.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.928 0.394 . . . . 0.0 110.302 179.51 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -78.79 -29.41 44.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.517 179.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.412 ' CB ' HG22 ' A' ' 5' ' ' ILE . . . -67.21 -48.42 67.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.169 0.509 . . . . 0.0 110.393 179.469 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.749 HG13 HD21 ' A' ' 29' ' ' LEU . 3.1 mp -63.79 -49.84 80.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.113 179.232 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.462 ' HA ' HD12 ' A' ' 123' ' ' ILE . 37.6 mt-10 -64.04 -32.7 74.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.943 0.401 . . . . 0.0 110.207 179.236 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.8 m -64.93 -44.42 89.53 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.774 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.648 ' CB ' HD13 ' A' ' 55' ' ' LEU . 0.8 OUTLIER -68.33 -33.07 73.64 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.678 179.872 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.462 HD12 ' HA ' ' A' ' 120' ' ' GLU . 20.2 mt -74.18 -36.51 43.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.785 179.509 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.75 -35.04 76.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.657 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.4 -33.6 58.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.95 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 8.5 t -77.7 -30.32 51.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.6 mt -69.67 -43.93 71.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.995 0.426 . . . . 0.0 110.856 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.88 179.886 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.488 1.449 0 CA-C-O 120.857 0.36 . . . . 0.0 111.179 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.64 146.52 46.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.151 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.414 ' CG2' ' HD2' ' A' ' 4' ' ' PRO . 15.0 mt -124.7 136.34 27.8 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.813 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.414 ' HD2' ' CG2' ' A' ' 3' ' ' ILE . 36.2 Cg_endo -65.91 127.08 17.03 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.348 2.032 . . . . 0.0 112.332 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.531 ' N ' ' O ' ' A' ' 29' ' ' LEU . 29.1 mm -90.06 -20.55 6.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.183 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.618 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 0.0 OUTLIER 178.98 110.54 0.03 OUTLIER 'General case' 0 C--O 1.216 -0.677 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.04 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.893 ' HB3' HG23 ' A' ' 28' ' ' THR . 10.7 pt20 -131.17 111.67 12.16 Favored 'General case' 0 C--N 1.312 -1.043 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.705 179.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.3 m -168.48 -175.1 2.4 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.526 ' CD1' HD11 ' A' ' 41' ' ' ILE . 1.5 m-85 -79.34 132.21 36.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.064 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.874 HD23 ' HB3' ' A' ' 104' ' ' PHE . 4.5 mp -126.6 146.88 49.99 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.598 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.451 ' CD2' ' HB2' ' A' ' 22' ' ' TRP . 1.1 mp -81.9 135.81 35.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.15 179.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.41 ' CB ' ' HD3' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -129.24 114.81 16.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.945 0.403 . . . . 0.0 111.234 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.448 ' CB ' ' HD2' ' A' ' 20' ' ' LYS . 11.6 ptt180 -53.25 148.1 9.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.183 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 59.5 p -112.93 -52.25 2.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.96 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -165.76 -172.84 33.61 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.628 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 64.03 128.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.856 0.36 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.3 p -86.53 -57.25 3.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.015 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.1 mt -59.05 -57.44 13.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.855 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -107.4 77.1 1.12 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.447 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.448 ' HD2' ' CB ' ' A' ' 13' ' ' ARG . 6.9 mmtt -52.25 -177.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.491 -179.467 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -164.32 98.01 0.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.196 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.563 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 3.2 m95 -98.5 126.95 44.24 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.218 -179.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.6 152.56 18.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.588 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.01 111.93 2.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.748 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.41 ' HD3' ' CB ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -110.77 -174.06 2.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.776 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.503 ' CE1' ' CG ' ' A' ' 44' ' ' TYR . 50.8 t80 -141.27 117.16 10.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.515 -179.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.745 ' CG1' HD11 ' A' ' 35' ' ' LEU . 2.0 t -124.88 147.92 29.4 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.31 0 CA-C-O 120.961 0.41 . . . . 0.0 111.751 -179.491 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.893 HG23 ' HB3' ' A' ' 7' ' ' GLN . 87.4 m -138.83 110.98 7.33 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.863 177.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.755 HD22 HD13 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -88.98 115.88 26.86 Favored 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 178.19 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.9 t -104.05 162.58 13.04 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.917 0.389 . . . . 0.0 111.402 -178.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.6 t -80.51 4.36 18.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.18 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -91.63 26.25 2.4 Favored 'General case' 0 CA--C 1.522 -0.112 0 CA-C-O 120.805 0.336 . . . . 0.0 111.283 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 54.63 37.25 60.63 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.51 -0.853 . . . . 0.0 111.545 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.434 ' CE2' ' HB2' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -139.46 133.86 31.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.994 0.426 . . . . 0.0 111.373 -179.536 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.842 HD23 HG21 ' A' ' 94' ' ' ILE . 1.3 tp -113.98 117.0 30.11 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.856 179.053 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.655 ' N ' HD12 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -112.96 151.34 30.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.058 -179.578 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.476 ' HB3' HG13 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -158.7 136.32 10.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.716 179.549 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.506 ' CD2' ' HA2' ' A' ' 50' ' ' GLY . 0.2 OUTLIER -118.58 160.27 40.73 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.852 -179.684 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.07 -34.95 70.36 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.584 2.19 . . . . 0.0 112.299 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.23 179.58 8.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.676 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.808 HG22 HD12 ' A' ' 45' ' ' ILE . 3.3 mp -61.7 -43.98 98.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.868 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.507 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 9.5 m-20 -51.88 -28.6 16.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.4 0.619 . . . . 0.0 110.127 179.185 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.462 ' CB ' ' HB3' ' A' ' 38' ' ' HIS . 1.4 m-20 -76.96 -39.38 50.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.748 179.534 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.503 ' CG ' ' CE1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -70.57 -51.28 29.48 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.268 0.556 . . . . 0.0 110.199 179.528 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.808 HD12 HG22 ' A' ' 41' ' ' ILE . 22.2 mt -58.75 -61.8 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.132 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.507 ' CD2' ' O ' ' A' ' 42' ' ' ASN . 14.0 m-70 -73.52 -24.52 60.16 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.797 -1.092 . . . . 0.0 112.075 -178.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.402 ' CB ' ' O ' ' A' ' 46' ' ' HIS . 4.2 t 78.61 74.95 0.05 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.881 0.372 . . . . 0.0 111.557 179.29 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 41.7 p -121.18 116.01 24.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 179.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.443 ' CE1' ' HE3' ' A' ' 51' ' ' LYS . 0.7 OUTLIER 75.8 -61.24 0.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.412 -179.644 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.506 ' HA2' ' CD2' ' A' ' 38' ' ' HIS . . . 43.24 88.39 0.01 OUTLIER Glycine 0 N--CA 1.453 -0.208 0 CA-C-N 115.409 -0.814 . . . . 0.0 113.298 179.46 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.445 ' HB2' ' CD1' ' A' ' 37' ' ' TYR . 0.4 OUTLIER -74.6 159.06 32.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.754 0.311 . . . . 0.0 110.519 179.561 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.469 ' HA ' ' O ' ' A' ' 35' ' ' LEU . 4.0 pt-20 -161.75 154.02 19.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.984 0.421 . . . . 0.0 110.893 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.684 ' HE3' ' CE2' ' A' ' 102' ' ' TRP . 7.2 ptp -142.66 152.9 42.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.247 -179.587 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.53 ' O ' HG23 ' A' ' 58' ' ' THR . 0.7 OUTLIER -81.17 124.22 29.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.815 178.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.79 HD13 ' CB ' ' A' ' 122' ' ' GLN . 8.6 mt -90.15 22.41 3.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.687 -179.345 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.6 tt -83.19 -40.86 19.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.722 0.296 . . . . 0.0 110.916 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 30.1 mtp85 -130.83 43.95 3.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.035 0.445 . . . . 0.0 110.955 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.624 HG22 ' O ' ' A' ' 95' ' ' VAL . 0.6 OUTLIER -92.15 161.9 14.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.985 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.41 165.28 24.64 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.456 179.541 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 93' ' ' LEU . 2.7 m -130.86 130.38 64.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.735 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.481 ' HE3' HG21 ' A' ' 95' ' ' VAL . 11.3 mttt -138.33 164.48 29.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.077 0.465 . . . . 0.0 111.546 -179.42 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 24.3 t -132.48 122.17 17.79 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.627 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.469 ' HD3' HD12 ' A' ' 93' ' ' LEU . 96.4 Cg_endo -87.88 122.57 1.63 Allowed 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 122.758 2.305 . . . . 0.0 113.116 -179.37 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.38 -55.25 5.02 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.904 -0.665 . . . . 0.0 113.081 179.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.13 150.51 35.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.885 0.374 . . . . 0.0 111.26 -179.538 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.417 ' CB ' ' HD2' ' A' ' 67' ' ' PRO . 19.7 mtp180 -78.01 166.22 45.03 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.71 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.417 ' HD2' ' CB ' ' A' ' 66' ' ' ARG . 9.7 Cg_endo -53.01 118.79 5.17 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.472 2.115 . . . . 0.0 112.048 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.51 140.52 40.05 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.46 2.107 . . . . 0.0 112.333 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 69.9 mtt-85 -64.28 147.53 52.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.84 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.1 -52.22 15.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.075 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 25.7 mt -137.85 -66.4 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.205 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.7 m -163.86 110.21 1.09 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.028 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.74 17.66 10.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.708 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 1.1 t80 62.74 94.09 0.05 OUTLIER 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.932 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -136.82 -177.94 15.42 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.445 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.5 -27.71 33.25 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.516 2.144 . . . . 0.0 112.359 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.0 p -67.18 84.91 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.859 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -90.23 -63.42 1.28 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.101 0.477 . . . . 0.0 111.128 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.65 -155.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.558 -179.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 70.27 -109.02 2.68 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.499 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.04 -174.59 3.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.791 0.329 . . . . 0.0 110.78 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -169.12 86.91 0.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.057 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -95.27 23.07 35.2 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.616 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -126.12 -43.16 1.82 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.925 0.393 . . . . 0.0 110.943 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -101.34 116.91 33.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.018 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.28 48.03 0.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.989 0.423 . . . . 0.0 110.85 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -59.47 -43.72 93.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.915 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.431 ' HA ' ' CE2' ' A' ' 109' ' ' PHE . 8.9 pt-20 43.84 61.52 2.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.527 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -139.51 103.49 4.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.788 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.567 ' N ' ' CD1' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -123.69 109.64 13.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.031 -179.823 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -143.49 129.99 20.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.364 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.663 ' CE1' HD11 ' A' ' 94' ' ' ILE . 13.5 p90 -125.34 147.04 49.3 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.994 0.426 . . . . 0.0 111.319 -179.553 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.469 HD12 ' HD3' ' A' ' 63' ' ' PRO . 5.6 mt -107.11 140.26 40.22 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.654 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.842 HG21 HD23 ' A' ' 35' ' ' LEU . 11.4 mm -116.69 112.29 38.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.869 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.624 ' O ' HG22 ' A' ' 58' ' ' THR . 62.0 t -102.77 127.65 56.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.853 0.359 . . . . 0.0 111.421 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.608 ' HA ' HG22 ' A' ' 58' ' ' THR . 36.9 t -89.7 -175.29 4.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.472 179.421 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.8 t -82.0 -12.98 58.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.372 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.1 t -102.89 24.51 10.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.852 0.358 . . . . 0.0 111.155 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 77.73 -8.47 35.41 Favored Glycine 0 CA--C 1.521 0.426 0 C-N-CA 120.764 -0.731 . . . . 0.0 113.46 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.79 141.51 55.14 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 117.267 0.534 . . . . 0.0 110.529 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.429 HG23 HG22 ' A' ' 95' ' ' VAL . 4.3 m -134.93 114.88 12.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.95 0.405 . . . . 0.0 111.665 -179.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.684 ' CE2' ' HE3' ' A' ' 53' ' ' MET . 33.7 m0 -101.21 105.68 16.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.572 179.233 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.563 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.8 OUTLIER -91.26 116.34 28.75 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.556 -0.457 . . . . 0.0 110.275 179.136 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.874 ' HB3' HD23 ' A' ' 10' ' ' LEU . 21.8 m-85 -123.01 161.19 24.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.395 0.617 . . . . 0.0 112.003 -179.537 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.464 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 34.1 tt0 -131.8 104.27 6.79 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.21 -0.905 . . . . 0.0 109.66 178.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.625 ' HB2' ' HA ' ' A' ' 112' ' ' ARG . . . -49.35 126.02 12.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.866 -179.09 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.96 -31.38 72.47 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.315 179.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -119.29 146.65 45.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.445 179.425 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.557 ' CE1' ' CD1' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -61.01 -34.38 74.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.319 -179.564 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -73.72 -32.66 64.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.929 0.395 . . . . 0.0 110.841 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -71.3 -34.35 70.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.385 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.625 ' HA ' ' HB2' ' A' ' 106' ' ' ALA . 0.0 OUTLIER -56.8 -42.38 79.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.723 0.297 . . . . 0.0 110.957 -179.636 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -74.65 -46.53 37.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.583 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 118' ' ' ALA . . . -52.71 -52.79 54.63 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.29 179.432 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.698 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 52.8 m95 -56.76 -55.48 33.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.853 179.008 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 112' ' ' ARG . 75.6 t -54.06 -34.81 27.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 CA-C-O 121.072 0.463 . . . . 0.0 110.056 179.422 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.501 ' HA ' ' HG2' ' A' ' 120' ' ' GLU . 10.1 mt-30 -79.09 -27.8 42.98 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.26 178.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.45 ' HB2' HG22 ' A' ' 5' ' ' ILE . . . -71.57 -42.81 67.34 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.448 179.508 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.666 HG13 HD21 ' A' ' 29' ' ' LEU . 2.7 mp -67.01 -49.31 74.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.256 179.5 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.892 ' HA ' HD12 ' A' ' 123' ' ' ILE . 12.6 pt-20 -66.16 -32.68 74.26 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.904 0.383 . . . . 0.0 110.17 179.139 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 9.8 t -64.2 -41.48 97.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.309 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.79 ' CB ' HD13 ' A' ' 55' ' ' LEU . 57.6 mm-40 -67.85 -34.23 76.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.393 179.552 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.892 HD12 ' HA ' ' A' ' 120' ' ' GLU . 12.3 mt -70.46 -37.67 71.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.967 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 10.0 tp -68.56 -39.33 81.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.3 -29.16 57.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.043 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.1 m -84.05 -29.46 26.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.048 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.3 mt -59.18 -42.49 90.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.982 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.299 -0.858 . . . . 0.0 110.945 179.987 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.6 tpp180 . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.924 0.392 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.438 ' O ' HD13 ' A' ' 3' ' ' ILE . . . -120.55 165.72 14.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.438 HD13 ' O ' ' A' ' 2' ' ' ALA . 21.0 mm -128.64 144.06 50.81 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.807 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.402 ' HD2' ' CG2' ' A' ' 3' ' ' ILE . 12.0 Cg_exo -70.22 127.88 14.83 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.589 2.193 . . . . 0.0 112.393 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.56 ' N ' HD12 ' A' ' 5' ' ' ILE . 1.4 mp -91.91 -19.81 6.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.018 179.526 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.604 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 0.0 OUTLIER -178.44 110.1 0.06 Allowed 'General case' 0 C--O 1.219 -0.54 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.044 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.851 ' HB3' HG23 ' A' ' 28' ' ' THR . 3.6 pt20 -131.61 116.2 17.08 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-O 120.867 0.365 . . . . 0.0 110.242 178.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.8 p -171.12 -175.98 1.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.383 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.566 ' CE1' HD11 ' A' ' 41' ' ' ILE . 2.2 m-30 -80.83 122.53 27.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.156 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.839 HD23 ' HB3' ' A' ' 104' ' ' PHE . 4.7 mp -115.62 156.51 25.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.424 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' A' ' 104' ' ' PHE . 1.2 tp -94.86 130.38 41.47 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.361 179.325 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.459 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.1 OUTLIER -113.3 112.43 23.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.887 0.375 . . . . 0.0 110.924 -179.678 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.8 ttp180 -59.26 148.01 33.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.876 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.9 m -154.68 84.23 1.1 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.974 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 164.38 -103.95 0.22 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.456 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -157.1 -176.6 6.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.795 0.331 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.45 -43.26 27.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.2 tt -60.24 -36.12 77.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.829 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -137.23 75.89 1.55 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.678 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.5 168.48 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.141 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -177.45 102.57 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.11 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.57 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 3.3 m95 -105.1 150.58 24.89 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.44 -179.019 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.63 153.12 38.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.491 179.564 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.17 120.87 12.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.907 0.384 . . . . 0.0 111.08 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.469 ' HE2' ' CE2' ' A' ' 37' ' ' TYR . 4.4 mmmm -126.62 166.77 16.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.409 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.485 ' CE1' ' CG ' ' A' ' 44' ' ' TYR . 47.6 t80 -123.26 115.28 21.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.609 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.693 HG23 ' HB2' ' A' ' 10' ' ' LEU . 1.9 t -119.82 149.3 22.5 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.336 0 CA-C-O 121.053 0.454 . . . . 0.0 111.515 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.851 HG23 ' HB3' ' A' ' 7' ' ' GLN . 93.6 m -138.67 121.36 16.36 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.121 177.458 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.751 HD23 ' CZ3' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -99.65 113.16 25.42 Favored 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 178.206 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.451 ' C ' HD13 ' A' ' 5' ' ' ILE . 37.5 t -103.09 164.08 11.83 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.138 0.494 . . . . 0.0 111.364 -178.302 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.512 ' HB2' HD11 ' A' ' 5' ' ' ILE . 6.6 t -80.55 4.84 17.09 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.178 179.61 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -92.99 26.06 2.96 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.751 0.31 . . . . 0.0 111.153 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 53.16 41.42 61.0 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.681 -0.771 . . . . 0.0 111.951 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.533 ' N ' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -139.26 126.86 21.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.007 0.432 . . . . 0.0 111.513 -179.397 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.965 HD23 HG21 ' A' ' 94' ' ' ILE . 1.6 tp -106.43 117.22 33.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.664 179.068 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.863 HD23 ' CG ' ' A' ' 52' ' ' GLU . 0.2 OUTLIER -115.48 144.55 43.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.017 0.437 . . . . 0.0 111.64 -179.095 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.469 ' CE2' ' HE2' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -150.1 125.14 9.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.403 179.175 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.489 ' HB3' ' CB ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -114.98 161.78 27.42 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.76 -179.184 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.43 ' HD2' ' HB3' ' A' ' 38' ' ' HIS . 86.3 Cg_exo -47.4 -51.8 8.98 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.667 2.245 . . . . 0.0 112.731 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.32 -171.49 3.93 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.098 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.753 HG22 HD12 ' A' ' 45' ' ' ILE . 3.2 mp -64.28 -41.32 92.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.954 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.511 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 1.5 m120 -51.83 -27.17 11.63 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.349 0.595 . . . . 0.0 110.004 179.179 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.742 ' HA ' HG23 ' A' ' 48' ' ' THR . 3.5 m-20 -76.85 -41.2 44.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.827 179.625 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.485 ' CG ' ' CE1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -70.35 -51.15 32.07 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.31 0.576 . . . . 0.0 110.103 179.417 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.753 HD12 HG22 ' A' ' 41' ' ' ILE . 25.0 mt -57.09 -61.9 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.36 -0.837 . . . . 0.0 111.024 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.511 ' CD2' ' O ' ' A' ' 42' ' ' ASN . 15.3 m-70 -73.6 -24.86 60.11 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.902 -178.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.9 m 75.12 72.57 0.09 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.973 0.415 . . . . 0.0 111.907 178.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.742 HG23 ' HA ' ' A' ' 43' ' ' ASP . 30.1 p -89.51 -153.58 0.28 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.059 -0.518 . . . . 0.0 109.902 178.649 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -38.07 -57.2 1.08 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.942 0.401 . . . . 0.0 111.212 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.455 ' CA ' ' CD2' ' A' ' 38' ' ' HIS . . . 55.36 97.45 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.39 0 CA-C-N 115.908 -0.587 . . . . 0.0 113.017 179.476 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.438 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . 1.7 mmtp -70.34 149.59 47.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.637 0.256 . . . . 0.0 110.805 179.692 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.863 ' CG ' HD23 ' A' ' 36' ' ' LEU . 10.7 mt-10 -140.45 133.28 29.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.024 0.44 . . . . 0.0 110.835 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.54 ' CE ' ' CG ' ' A' ' 102' ' ' TRP . 0.6 OUTLIER -121.04 119.0 31.23 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.398 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.8 128.91 39.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.382 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.909 HD13 ' CB ' ' A' ' 122' ' ' GLN . 17.0 mt -93.7 30.3 1.82 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.484 -179.334 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.39 -61.63 1.79 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.78 0.324 . . . . 0.0 110.888 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -118.95 47.5 1.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.783 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.533 HG22 ' O ' ' A' ' 95' ' ' VAL . 0.4 OUTLIER -94.58 162.08 13.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.091 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.27 170.9 12.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.582 179.633 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.416 ' HA ' ' O ' ' A' ' 93' ' ' LEU . 5.0 m -139.23 122.52 18.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.648 179.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.89 155.0 44.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.039 0.447 . . . . 0.0 111.873 -179.458 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.493 HG13 ' HD2' ' A' ' 63' ' ' PRO . 42.3 t -89.73 139.35 27.81 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.658 179.711 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.493 ' HD2' HG13 ' A' ' 62' ' ' VAL . 18.2 Cg_endo -58.43 80.78 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.7 2.267 . . . . 0.0 112.629 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 45.98 34.22 5.63 Favored Glycine 0 CA--C 1.518 0.262 0 C-N-CA 121.073 -0.584 . . . . 0.0 113.03 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.479 ' HB2' HG12 ' A' ' 62' ' ' VAL . 6.7 mttt -119.25 131.14 55.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.844 0.354 . . . . 0.0 111.026 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.444 ' HB2' ' HD2' ' A' ' 67' ' ' PRO . 6.1 ptp180 -56.49 164.61 1.95 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.802 179.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.444 ' HD2' ' HB2' ' A' ' 66' ' ' ARG . 61.6 Cg_exo -52.25 118.47 4.62 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.323 2.015 . . . . 0.0 112.199 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.54 114.76 2.03 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.538 2.159 . . . . 0.0 112.508 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.77 -178.5 4.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -76.57 -56.25 4.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.064 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 24.1 mm -100.26 -28.96 3.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.128 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.7 t 62.41 -176.75 0.14 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.948 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.66 17.55 10.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.725 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -92.87 145.23 24.55 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -115.82 155.68 16.12 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.555 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 99.67 0.76 Allowed 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.529 2.153 . . . . 0.0 112.347 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.8 t -61.49 110.37 1.44 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.7 -31.42 71.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.0 p -87.45 109.14 19.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.954 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 125.93 43.39 0.28 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.474 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.4 p 58.92 172.91 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.789 0.328 . . . . 0.0 111.022 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -96.46 -178.21 4.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.105 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 104.98 -107.72 2.93 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.456 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 60.59 89.79 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.862 0.363 . . . . 0.0 110.863 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -100.63 31.97 3.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.209 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -127.84 31.46 5.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.787 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -64.32 -27.28 68.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.966 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -129.53 59.12 1.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.031 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -59.68 104.09 0.25 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.609 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.488 ' CG ' ' HG2' ' A' ' 112' ' ' ARG . 82.5 m-85 -90.02 136.31 33.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.697 -179.432 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.53 ' HB3' ' HE1' ' A' ' 103' ' ' HIS . 3.9 mp0 -143.93 129.92 19.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.028 179.477 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.567 ' CE2' HD11 ' A' ' 94' ' ' ILE . 2.8 p90 -129.84 137.81 50.65 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.984 0.421 . . . . 0.0 111.39 -179.668 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.416 ' O ' ' HA ' ' A' ' 60' ' ' VAL . 0.7 OUTLIER -106.02 143.37 34.25 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.203 -179.616 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.965 HG21 HD23 ' A' ' 35' ' ' LEU . 19.3 mm -112.38 108.65 26.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.626 179.703 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.805 HG22 HG23 ' A' ' 101' ' ' THR . 92.5 t -101.06 130.51 50.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.96 0.409 . . . . 0.0 111.632 -179.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.505 ' HA ' HG22 ' A' ' 58' ' ' THR . 0.1 OUTLIER -94.6 -174.17 3.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.249 179.352 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 p -83.39 -19.22 36.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.255 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.0 t -100.03 23.9 9.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.867 0.365 . . . . 0.0 111.155 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 83.52 -20.46 11.29 Favored Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.634 -0.793 . . . . 0.0 113.372 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 15.0 tp60 -48.64 123.9 7.5 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 117.146 0.473 . . . . 0.0 110.79 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.805 HG23 HG22 ' A' ' 95' ' ' VAL . 1.3 m -126.27 114.82 18.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.876 0.369 . . . . 0.0 111.839 -179.396 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.675 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 35.4 m0 -98.39 105.61 17.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.151 178.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.57 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.8 OUTLIER -92.32 116.55 29.07 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.676 179.678 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.839 ' HB3' HD23 ' A' ' 10' ' ' LEU . 21.7 m-85 -124.36 159.9 29.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.435 0.635 . . . . 0.0 112.212 -179.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.443 ' HB2' ' CE3' ' A' ' 22' ' ' TRP . 1.1 tt0 -124.75 108.22 11.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.1 -0.954 . . . . 0.0 109.771 179.074 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.599 ' HB2' ' HA ' ' A' ' 112' ' ' ARG . . . -52.99 119.03 4.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.602 -179.404 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.72 -37.24 75.71 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.522 179.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.61 139.84 46.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.22 179.357 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.428 ' CG ' ' HE2' ' A' ' 90' ' ' PHE . 6.8 m-30 -56.22 -36.06 68.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.198 -179.581 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -74.37 -37.91 63.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.259 0.552 . . . . 0.0 110.693 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.41 -32.02 71.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.516 -179.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.659 ' O ' HG23 ' A' ' 116' ' ' VAL . 2.3 ppt_? -56.72 -40.62 76.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.765 0.317 . . . . 0.0 110.835 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -74.84 -45.6 42.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.561 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -54.08 -52.81 59.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.326 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.751 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 57.5 m95 -57.72 -55.28 36.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.655 178.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 112' ' ' ARG . 73.4 t -53.32 -36.13 25.78 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-O 120.869 0.366 . . . . 0.0 110.041 179.596 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -77.29 -29.75 53.89 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.688 178.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.518 ' HB2' HG22 ' A' ' 5' ' ' ILE . . . -67.85 -41.82 82.33 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.452 179.379 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.615 HD12 HD21 ' A' ' 29' ' ' LEU . 2.0 mm -66.75 -51.58 54.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.156 179.404 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -64.78 -32.76 74.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.393 179.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 22.9 t -66.84 -41.48 87.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.538 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.909 ' CB ' HD13 ' A' ' 55' ' ' LEU . 65.0 mm-40 -69.53 -35.93 75.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.379 179.633 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.496 HG22 HD23 ' A' ' 127' ' ' LEU . 16.0 mt -73.32 -33.15 40.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.71 179.488 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.7 tt -68.52 -37.89 80.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.434 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.36 -30.13 57.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 15.2 m -82.15 -30.13 31.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.968 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.496 HD23 HG22 ' A' ' 123' ' ' ILE . 0.2 OUTLIER -57.79 -31.08 66.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.026 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.957 179.986 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 21.0 mtm180 . . . . . 0 N--CA 1.485 1.31 0 CA-C-O 120.863 0.363 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.13 167.56 10.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.029 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.426 ' CG2' ' HD2' ' A' ' 4' ' ' PRO . 11.9 mt -135.43 136.86 24.94 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.888 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.426 ' HD2' ' CG2' ' A' ' 3' ' ' ILE . 20.9 Cg_endo -60.92 130.34 32.44 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.332 2.022 . . . . 0.0 112.242 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.461 HG22 ' HB2' ' A' ' 118' ' ' ALA . 45.9 mm -91.2 -21.79 6.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.698 179.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.616 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 0.0 OUTLIER 179.95 110.6 0.04 OUTLIER 'General case' 0 C--O 1.218 -0.575 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 179.079 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.702 ' HB2' HG23 ' A' ' 28' ' ' THR . 0.5 OUTLIER -127.91 110.68 12.79 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-O 120.936 0.398 . . . . 0.0 110.7 179.679 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.02 -175.21 3.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.89 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.502 ' C ' HD12 ' A' ' 10' ' ' LEU . 2.6 m-85 -84.49 145.51 28.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.956 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.788 HD23 ' HB3' ' A' ' 104' ' ' PHE . 6.6 mp -137.19 153.63 50.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.824 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.503 HD23 ' HB2' ' A' ' 22' ' ' TRP . 1.0 OUTLIER -87.64 137.66 32.14 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.256 179.38 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.462 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.0 OUTLIER -129.65 123.84 32.21 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.834 0.35 . . . . 0.0 111.427 -179.389 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.467 ' HG3' ' CE2' ' A' ' 22' ' ' TRP . 23.4 mtp180 -54.67 148.17 13.17 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.009 179.563 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.5 m -118.85 -38.67 3.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.955 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -93.73 -145.28 17.23 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.613 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -107.22 -178.26 3.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.798 0.332 . . . . 0.0 111.025 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 83.2 p -60.43 -44.89 95.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.29 -33.16 69.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -132.58 87.74 2.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.801 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -71.05 154.26 41.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.171 0.51 . . . . 0.0 111.18 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -172.14 101.1 0.16 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.826 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.511 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 2.8 m95 -98.07 143.63 28.41 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.337 -178.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.9 158.88 28.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.488 179.64 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.86 124.03 20.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.849 0.356 . . . . 0.0 110.815 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.406 ' HD2' ' HB3' ' A' ' 12' ' ' LYS . 0.8 OUTLIER -126.58 -174.08 3.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.047 -179.776 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.461 ' O ' ' HA ' ' A' ' 37' ' ' TYR . 2.0 t80 -137.56 129.39 28.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.221 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.699 ' CG1' HD11 ' A' ' 35' ' ' LEU . 1.6 t -137.53 145.78 28.74 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.286 0 CA-C-O 120.995 0.426 . . . . 0.0 111.645 -179.67 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.702 HG23 ' HB2' ' A' ' 7' ' ' GLN . 86.9 m -138.86 110.73 7.2 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.731 177.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.786 HD12 ' OE1' ' A' ' 122' ' ' GLN . 0.2 OUTLIER -89.31 115.78 27.04 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 178.249 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.0 p -100.58 157.44 16.66 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.691 -178.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.3 p -77.48 -1.3 29.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.87 179.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -88.76 26.24 1.57 Allowed 'General case' 0 CA--C 1.521 -0.156 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.219 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.425 ' C ' ' HB2' ' A' ' 55' ' ' LEU . . . 57.09 40.32 91.24 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.398 -0.906 . . . . 0.0 111.206 -179.296 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.485 ' N ' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -138.28 144.78 40.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.206 0.527 . . . . 0.0 111.7 -179.334 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.761 HD23 HG21 ' A' ' 94' ' ' ILE . 2.5 tp -129.25 116.97 19.95 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.703 179.025 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.646 HD12 ' O ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -120.07 136.69 54.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.858 0.361 . . . . 0.0 111.399 -179.256 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.588 ' HB3' HG13 ' A' ' 27' ' ' VAL . 0.5 OUTLIER -139.61 136.25 34.16 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.675 179.137 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.501 ' HB3' ' CB ' ' A' ' 43' ' ' ASP . 0.3 OUTLIER -116.49 160.21 37.09 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.925 -179.47 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -48.18 -45.77 24.72 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.725 2.283 . . . . 0.0 112.619 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.2 t -157.11 -170.88 3.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.929 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.705 HG22 HD12 ' A' ' 45' ' ' ILE . 3.8 mp -64.84 -43.33 96.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.843 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.525 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 1.8 p-10 -51.8 -27.08 11.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.388 0.613 . . . . 0.0 110.053 179.091 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.764 ' HA ' HG23 ' A' ' 48' ' ' THR . 3.8 m-20 -76.75 -39.9 50.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.806 179.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -72.14 -51.12 22.82 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.238 0.542 . . . . 0.0 110.091 179.442 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.705 HD12 HG22 ' A' ' 41' ' ' ILE . 18.9 mt -56.52 -61.29 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.911 179.607 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.525 ' CD2' ' O ' ' A' ' 42' ' ' ASN . 14.8 m-70 -73.42 -25.0 60.33 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.859 -1.064 . . . . 0.0 111.677 -179.036 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 73.88 71.1 0.11 Allowed 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 178.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.764 HG23 ' HA ' ' A' ' 43' ' ' ASP . 30.2 p -84.86 -152.5 0.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 178.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -39.21 -56.17 1.54 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.932 0.396 . . . . 0.0 111.185 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.441 ' HA2' ' CD2' ' A' ' 38' ' ' HIS . . . 59.3 98.89 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.909 -0.663 . . . . 0.0 112.804 179.447 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.19 156.77 35.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.695 0.283 . . . . 0.0 110.764 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.433 ' HA ' ' O ' ' A' ' 35' ' ' LEU . 16.4 pt-20 -158.8 154.62 26.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.755 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.651 ' HE3' ' CE2' ' A' ' 102' ' ' TRP . 7.0 ptp -144.82 151.1 38.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.363 -179.366 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -83.88 120.65 26.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.651 178.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.748 HD13 ' CB ' ' A' ' 122' ' ' GLN . 2.1 mt -84.99 40.21 0.8 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.646 -179.134 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.68 -61.65 1.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.835 0.35 . . . . 0.0 110.846 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.43 39.43 3.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.803 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.563 HG22 ' O ' ' A' ' 95' ' ' VAL . 0.2 OUTLIER -80.51 161.97 24.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.991 -179.899 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -133.28 159.28 40.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.573 179.628 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.3 m -121.06 123.73 70.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.842 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.505 ' HB3' HD13 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -105.02 138.59 40.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.097 -179.751 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.0 m -115.95 106.94 48.88 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.192 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -60.7 78.55 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.459 2.106 . . . . 0.0 112.116 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 103.95 95.32 2.35 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.481 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -49.78 173.18 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.826 0.346 . . . . 0.0 111.102 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.403 ' CB ' ' HD2' ' A' ' 67' ' ' PRO . 0.0 OUTLIER 60.71 166.33 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.639 -179.882 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.403 ' HD2' ' CB ' ' A' ' 66' ' ' ARG . 17.8 Cg_endo -58.27 148.72 77.47 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.451 2.101 . . . . 0.0 112.028 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.45 ' HG3' ' CE1' ' A' ' 90' ' ' PHE . 39.3 Cg_endo -66.59 94.93 0.33 Allowed 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.466 2.111 . . . . 0.0 112.209 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -127.13 -176.12 3.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.771 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.588 ' CB ' ' HB3' ' A' ' 85' ' ' ALA . . . -54.96 -56.24 21.89 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.314 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 59.0 mt -148.57 -80.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.096 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.94 87.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.774 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.85 17.54 10.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.003 0.43 . . . . 0.0 111.717 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 57.02 84.61 0.09 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.967 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 60.43 179.71 2.36 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.39 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -62.45 75.89 0.1 Allowed 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.728 2.285 . . . . 0.0 112.266 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.0 m -150.74 85.34 1.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.723 ' HB1' ' O ' ' A' ' 81' ' ' SER . . . -66.76 -52.16 47.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.4 m 57.92 80.95 0.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.009 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 123.55 -82.88 0.35 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.433 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.723 ' O ' ' HB1' ' A' ' 78' ' ' ALA . 94.7 p -117.12 -173.47 2.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.825 0.345 . . . . 0.0 110.924 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -103.7 178.94 4.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.996 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -87.84 122.65 6.34 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.517 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -83.79 -30.87 26.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.77 0.319 . . . . 0.0 110.93 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.588 ' HB3' ' CB ' ' A' ' 70' ' ' ALA . . . -90.38 143.93 26.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.104 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -167.53 39.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.729 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -62.45 -37.69 86.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.045 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.406 ' OE1' ' CE2' ' A' ' 109' ' ' PHE . 1.1 mt-10 53.66 56.29 7.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.011 0.434 . . . . 0.0 110.826 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -87.95 104.01 16.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.859 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.519 ' CD1' ' CD1' ' A' ' 109' ' ' PHE . 3.4 m-85 -91.99 108.81 20.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.79 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -138.94 137.1 36.13 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 -179.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.643 ' CE2' HD11 ' A' ' 94' ' ' ILE . 4.9 p90 -129.5 145.49 51.44 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.992 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.505 HD13 ' HB3' ' A' ' 61' ' ' LYS . 0.7 OUTLIER -105.27 150.83 24.81 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.186 -179.626 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.761 HG21 HD23 ' A' ' 35' ' ' LEU . 7.3 mm -124.33 108.75 21.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.572 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.609 HG22 HG23 ' A' ' 101' ' ' THR . 66.6 t -99.01 122.92 51.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.018 0.437 . . . . 0.0 111.492 -179.7 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.536 ' HA ' HG22 ' A' ' 58' ' ' THR . 13.4 p -88.54 -176.31 5.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.345 179.382 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 27.1 t -85.26 -2.0 57.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.303 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.4 t -112.48 21.07 16.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.91 0.386 . . . . 0.0 111.015 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 80.2 -17.7 9.43 Favored Glycine 0 CA--C 1.52 0.373 0 C-N-CA 120.82 -0.705 . . . . 0.0 113.577 179.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -61.54 119.72 9.15 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 117.289 0.544 . . . . 0.0 110.481 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.609 HG23 HG22 ' A' ' 95' ' ' VAL . 4.7 m -114.54 115.43 27.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.671 -179.411 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.651 ' CE2' ' HE3' ' A' ' 53' ' ' MET . 38.8 m0 -93.67 105.5 17.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.38 179.102 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.511 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.7 OUTLIER -95.78 116.12 28.43 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.366 -0.534 . . . . 0.0 110.174 179.091 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.788 ' HB3' HD23 ' A' ' 10' ' ' LEU . 18.4 m-85 -122.18 164.7 17.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.33 0.586 . . . . 0.0 111.783 -179.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.447 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 45.1 tt0 -129.56 103.18 6.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.601 178.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.607 ' HB3' ' HB2' ' A' ' 112' ' ' ARG . . . -49.64 126.35 13.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.797 -179.061 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.69 -28.3 68.51 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.498 179.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.99 143.45 51.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.437 179.567 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.519 ' CD1' ' CD1' ' A' ' 90' ' ' PHE . 23.0 m-85 -57.76 -45.65 85.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.148 -179.567 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -61.88 -40.68 96.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.966 0.412 . . . . 0.0 110.533 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.58 -34.37 78.09 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.033 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.607 ' HB2' ' HB3' ' A' ' 106' ' ' ALA . 0.3 OUTLIER -56.78 -49.45 75.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.877 -179.817 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -65.35 -43.0 92.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.375 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.46 -52.56 64.23 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.751 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 50.6 m95 -56.56 -55.83 28.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.664 178.64 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.603 HG23 ' O ' ' A' ' 112' ' ' ARG . 96.5 t -53.2 -36.58 25.83 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-O 120.914 0.387 . . . . 0.0 110.228 179.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -75.86 -30.14 58.8 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.773 178.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.461 ' HB2' HG22 ' A' ' 5' ' ' ILE . . . -69.87 -36.62 75.63 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.335 179.32 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.766 HD12 HD21 ' A' ' 29' ' ' LEU . 2.0 mm -68.54 -52.35 37.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.234 179.403 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.908 ' HA ' HD12 ' A' ' 123' ' ' ILE . 5.3 mm-40 -65.28 -32.88 74.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.975 0.417 . . . . 0.0 110.221 179.243 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 29.8 t -65.12 -40.48 94.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.366 179.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.786 ' OE1' HD12 ' A' ' 29' ' ' LEU . 1.0 OUTLIER -68.98 -32.71 72.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.397 179.452 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.908 HD12 ' HA ' ' A' ' 120' ' ' GLU . 10.6 mt -72.8 -35.82 50.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.966 179.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.415 HD13 ' O ' ' A' ' 120' ' ' GLU . 5.2 mp -68.64 -38.48 80.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.533 179.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.36 -27.0 56.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.052 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 39.4 m -84.73 -33.24 23.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.03 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.456 HD23 HG22 ' A' ' 123' ' ' ILE . 0.4 OUTLIER -58.92 -36.58 74.97 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.827 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.352 -0.832 . . . . 0.0 110.949 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.448 0 CA-C-O 120.794 0.33 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.09 136.73 35.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.098 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.403 ' CG2' ' HD2' ' A' ' 4' ' ' PRO . 12.8 mm -122.92 136.13 26.53 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.546 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.403 ' HD2' ' CG2' ' A' ' 3' ' ' ILE . 26.6 Cg_endo -62.85 127.55 20.8 Favored 'Trans proline' 0 N--CA 1.464 -0.214 0 C-N-CA 122.176 1.917 . . . . 0.0 112.337 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.421 HG22 ' HB2' ' A' ' 118' ' ' ALA . 28.6 mm -91.56 -19.79 6.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.553 -0.748 . . . . 0.0 111.161 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.629 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 4.4 tptt 178.92 110.53 0.03 OUTLIER 'General case' 0 C--O 1.215 -0.74 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.154 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.873 ' HB3' HG23 ' A' ' 28' ' ' THR . 12.4 pt20 -130.9 108.99 10.22 Favored 'General case' 0 C--N 1.311 -1.095 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.459 179.39 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 98.1 p -162.82 -174.99 4.17 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.365 -179.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.805 ' O ' HD12 ' A' ' 10' ' ' LEU . 1.0 OUTLIER -80.03 145.0 32.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.106 -179.778 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 1.072 HD22 HG21 ' A' ' 27' ' ' VAL . 8.9 mp -140.24 151.38 45.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.512 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.48 HD23 ' HB2' ' A' ' 22' ' ' TRP . 1.1 tp -88.19 134.96 33.65 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 179.114 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.414 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.1 OUTLIER -121.3 111.1 16.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.946 0.403 . . . . 0.0 111.266 -179.399 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.413 ' CB ' ' HD2' ' A' ' 20' ' ' LYS . 3.7 ptm180 -59.21 148.22 32.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.973 179.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 68.8 m -124.45 68.93 1.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.19 -168.53 33.64 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.761 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 61.69 90.47 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.866 0.365 . . . . 0.0 110.976 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.19 -52.45 27.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.027 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.3 mt -57.63 -40.52 79.37 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.83 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.8 m-20 -126.1 76.15 1.57 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.67 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.413 ' HD2' ' CB ' ' A' ' 13' ' ' ARG . 0.8 OUTLIER -48.87 173.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.223 -179.772 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -168.81 99.49 0.39 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.868 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.588 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 2.6 m95 -102.8 139.28 38.59 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.217 -178.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.0 mmtt -115.0 157.75 23.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.531 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.5 mmtp -63.02 122.99 17.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.853 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -124.96 -174.04 2.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.795 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.495 ' CE1' ' CG ' ' A' ' 44' ' ' TYR . 46.6 t80 -144.48 115.04 7.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.496 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 1.072 HG21 HD22 ' A' ' 10' ' ' LEU . 1.3 t -119.63 148.54 22.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.846 0.355 . . . . 0.0 111.589 -179.605 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.873 HG23 ' HB3' ' A' ' 7' ' ' GLN . 87.6 m -138.74 111.91 7.99 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.428 178.053 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.689 HD23 ' CZ3' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -89.26 117.1 27.98 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 177.774 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.421 ' HB3' HD21 ' A' ' 32' ' ' ASN . 5.5 t -105.95 164.91 11.59 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.991 0.424 . . . . 0.0 111.458 -178.663 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.5 t -78.34 1.01 23.27 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.808 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.421 HD21 ' HB3' ' A' ' 30' ' ' SER . 0.3 OUTLIER -93.51 26.05 3.19 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 120.744 0.307 . . . . 0.0 111.319 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.411 ' C ' ' HB2' ' A' ' 55' ' ' LEU . . . 55.46 42.29 83.19 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.619 -0.8 . . . . 0.0 111.803 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.426 ' CD1' ' HB2' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -138.82 128.18 24.34 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.159 0.504 . . . . 0.0 111.482 -179.753 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 1.022 HD23 HG21 ' A' ' 94' ' ' ILE . 1.0 OUTLIER -107.92 117.07 33.16 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.599 179.282 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.639 ' N ' HD12 ' A' ' 35' ' ' LEU . 0.4 OUTLIER -113.29 150.52 32.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.915 0.388 . . . . 0.0 111.698 -179.165 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.411 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -151.5 129.34 11.66 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.905 179.395 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.509 ' HB3' ' HB3' ' A' ' 43' ' ' ASP . 0.4 OUTLIER -119.69 161.59 37.03 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.574 -179.635 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -48.07 -43.62 30.18 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.658 2.239 . . . . 0.0 112.882 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -160.47 -167.31 1.86 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.936 0.398 . . . . 0.0 111.173 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.661 HG22 HD12 ' A' ' 45' ' ' ILE . 3.6 mp -66.16 -47.27 85.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.953 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.511 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 8.6 m-80 -51.9 -25.64 8.51 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.26 0.552 . . . . 0.0 110.286 179.22 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.509 ' HB3' ' HB3' ' A' ' 38' ' ' HIS . 5.5 m-20 -76.79 -42.31 41.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.57 179.644 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.495 ' CG ' ' CE1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -69.13 -51.01 42.68 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.212 0.53 . . . . 0.0 110.14 179.567 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.661 HD12 HG22 ' A' ' 41' ' ' ILE . 25.4 mt -58.23 -62.19 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.266 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.511 ' CD2' ' O ' ' A' ' 42' ' ' ASN . 15.3 m-70 -73.52 -24.47 60.15 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.892 -1.049 . . . . 0.0 112.159 -178.535 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.0 t 77.29 74.17 0.07 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.976 0.417 . . . . 0.0 111.228 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.465 ' O ' ' HB3' ' A' ' 43' ' ' ASP . 68.5 p -144.76 117.97 8.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.156 179.288 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 62.8 m80 63.96 88.69 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 -178.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.479 ' HA3' ' CD2' ' A' ' 38' ' ' HIS . . . -141.85 88.97 0.18 Allowed Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.93 -179.515 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.425 ' HB3' ' CZ2' ' A' ' 102' ' ' TRP . 0.0 OUTLIER -68.4 143.13 55.2 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.811 0.338 . . . . 0.0 110.994 -179.559 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.512 ' HB3' HD23 ' A' ' 36' ' ' LEU . 8.7 pt-20 -138.05 150.59 47.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.676 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.707 ' HE3' ' CE2' ' A' ' 102' ' ' TRP . 10.0 ptp -135.76 151.39 50.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.206 -179.697 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -76.91 129.46 36.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.989 179.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.753 HD13 ' CB ' ' A' ' 122' ' ' GLN . 9.1 mt -91.39 25.59 2.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.566 -179.3 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 tt -82.95 -48.39 10.73 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.962 0.411 . . . . 0.0 110.651 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 -123.77 55.59 1.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.428 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.731 HG22 ' O ' ' A' ' 95' ' ' VAL . 0.3 OUTLIER -102.31 161.97 13.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.918 -179.681 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -134.33 168.61 18.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.637 179.72 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 20.8 t -123.21 119.57 57.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.649 ' HB3' HD13 ' A' ' 93' ' ' LEU . 0.2 OUTLIER -109.51 148.38 31.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.929 -179.865 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 19.3 t -138.8 135.65 17.93 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.112 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.69 62.64 2.3 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.492 2.128 . . . . 0.0 112.069 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 128.84 102.57 1.07 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.369 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.2 mmtm -52.07 173.25 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.81 0.338 . . . . 0.0 111.064 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 65.59 154.79 0.13 Allowed Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.75 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -53.75 126.94 23.53 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.593 2.195 . . . . 0.0 112.177 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -52.16 111.95 0.74 Allowed 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.373 2.049 . . . . 0.0 112.321 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -65.1 126.74 29.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -86.35 -30.13 22.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.108 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 26.7 mt -81.78 -33.47 12.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.266 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -161.64 108.6 1.39 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.971 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.76 17.63 10.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.79 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -130.2 160.91 32.41 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.881 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.66 -129.62 0.02 OUTLIER Glycine 0 CA--C 1.52 0.344 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.435 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -67.62 -176.65 0.97 Allowed 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.439 2.093 . . . . 0.0 112.226 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.3 t 60.4 89.99 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.73 -29.65 66.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.103 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.38 54.94 3.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.937 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -120.47 124.03 5.77 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.526 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -133.42 136.28 45.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.795 0.331 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -136.03 87.7 2.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.142 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 117.04 -109.89 1.98 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.475 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -117.24 -68.23 0.93 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.883 0.373 . . . . 0.0 110.929 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -176.37 103.46 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.06 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -98.83 31.81 2.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.871 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -65.62 -30.78 71.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -148.56 61.26 1.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -112.94 103.91 11.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.85 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.445 ' CD2' ' HG2' ' A' ' 112' ' ' ARG . 16.5 m-85 -89.79 118.61 29.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.02 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -140.4 136.13 32.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 -179.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.728 ' CE2' HD11 ' A' ' 94' ' ' ILE . 4.1 p90 -132.96 146.74 52.05 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.741 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.649 HD13 ' HB3' ' A' ' 61' ' ' LYS . 0.8 OUTLIER -107.52 148.88 28.65 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.645 -179.246 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 1.022 HG21 HD23 ' A' ' 35' ' ' LEU . 10.0 mm -123.07 110.27 25.93 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.785 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.738 HG22 HG23 ' A' ' 101' ' ' THR . 56.6 t -99.63 134.51 38.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.006 0.431 . . . . 0.0 111.613 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.453 ' HB2' ' HE2' ' A' ' 53' ' ' MET . 48.1 t -95.72 -174.09 3.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.528 179.421 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.61 -18.52 44.45 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.315 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.0 t -99.37 24.57 7.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.895 0.378 . . . . 0.0 111.215 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 79.5 -11.35 32.43 Favored Glycine 0 CA--C 1.521 0.438 0 C-N-CA 120.834 -0.698 . . . . 0.0 113.361 179.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -57.22 133.92 55.48 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 117.085 0.442 . . . . 0.0 110.675 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.738 HG23 HG22 ' A' ' 95' ' ' VAL . 2.7 m -132.84 114.55 14.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.983 0.421 . . . . 0.0 111.712 -179.559 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.707 ' CE2' ' HE3' ' A' ' 53' ' ' MET . 41.4 m0 -98.48 105.7 17.88 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.875 179.081 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.588 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.8 OUTLIER -91.02 115.95 28.41 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.293 -0.563 . . . . 0.0 110.004 178.838 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.862 ' HB3' HD23 ' A' ' 10' ' ' LEU . 26.1 m-85 -119.33 161.56 20.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.258 0.551 . . . . 0.0 111.96 -179.338 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.48 ' HB2' ' CE3' ' A' ' 22' ' ' TRP . 0.3 OUTLIER -126.57 102.49 7.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.188 -0.914 . . . . 0.0 109.725 178.794 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.6 ' HB3' ' HB3' ' A' ' 112' ' ' ARG . . . -56.73 127.49 31.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.593 -179.299 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.76 -32.86 74.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.587 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.1 m -114.46 147.31 39.51 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.509 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.4 ' O ' ' HG3' ' A' ' 112' ' ' ARG . 10.3 m-30 -66.0 -34.81 78.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.195 -179.725 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.83 -33.45 64.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.985 0.422 . . . . 0.0 110.898 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.19 -38.92 82.5 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.54 -179.512 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.605 ' O ' HG23 ' A' ' 116' ' ' VAL . 0.0 OUTLIER -56.77 -36.83 70.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.697 0.284 . . . . 0.0 110.834 -179.549 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -74.39 -47.01 36.62 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.496 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.467 ' HB1' ' HD3' ' A' ' 6' ' ' LYS . . . -55.04 -48.68 73.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.228 179.459 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.689 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 56.8 m95 -59.06 -54.97 41.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.835 179.078 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 112' ' ' ARG . 75.3 t -55.64 -34.5 35.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.916 0.388 . . . . 0.0 110.199 179.656 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.417 ' HA ' ' CG ' ' A' ' 120' ' ' GLU . 0.1 OUTLIER -80.75 -27.03 36.94 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.486 179.073 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 114' ' ' ALA . . . -72.14 -43.95 63.88 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 121.1 0.476 . . . . 0.0 110.245 179.347 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.671 HG13 HD21 ' A' ' 29' ' ' LEU . 2.5 mp -66.66 -49.62 73.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.121 179.336 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.797 ' HA ' HD12 ' A' ' 123' ' ' ILE . 0.0 OUTLIER -64.81 -32.54 74.28 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 110.113 -0.328 . . . . 0.0 110.113 179.213 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 117' ' ' GLN . 11.5 t -66.44 -45.96 78.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.65 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.753 ' CB ' HD13 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -63.51 -31.77 73.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.496 179.713 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.797 HD12 ' HA ' ' A' ' 120' ' ' GLU . 20.0 mt -70.51 -38.96 75.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 179.583 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.64 -35.04 76.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.817 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.26 -32.39 58.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.029 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -77.91 -31.09 50.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 4.1 mt -65.69 -46.57 78.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.853 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.895 0.379 . . . . 0.0 111.224 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.44 172.82 11.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.063 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.412 ' O ' ' HB2' ' A' ' 31' ' ' SER . 18.6 mm -113.9 132.02 22.85 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.887 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 31.2 Cg_exo -58.72 125.89 19.62 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.201 1.934 . . . . 0.0 112.246 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.488 ' N ' ' O ' ' A' ' 29' ' ' LEU . 29.0 mm -94.79 -18.73 6.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.506 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.593 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 3.4 tptt 176.77 110.44 0.02 OUTLIER 'General case' 0 C--O 1.22 -0.451 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 179.016 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.763 ' HB2' HG23 ' A' ' 28' ' ' THR . 0.1 OUTLIER -131.89 117.46 18.52 Favored 'General case' 0 C--N 1.314 -0.938 0 C-N-CA 120.952 -0.299 . . . . 0.0 110.467 179.512 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.63 -175.06 0.74 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.12 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.604 ' CD1' HD11 ' A' ' 41' ' ' ILE . 0.8 OUTLIER -79.42 132.41 36.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.871 -179.887 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.875 HD23 ' HB3' ' A' ' 104' ' ' PHE . 4.5 mp -126.74 148.72 49.86 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.688 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.448 ' CB ' ' HB3' ' A' ' 105' ' ' GLU . 1.3 tp -87.47 129.89 34.9 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.264 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.404 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.2 OUTLIER -112.36 112.51 24.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.876 0.369 . . . . 0.0 111.183 -179.688 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -55.88 147.94 18.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.13 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.0 p -126.3 -44.54 1.72 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -89.33 -157.12 32.62 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.5 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -109.46 -176.09 2.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.777 0.323 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.4 m -59.56 -43.28 93.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.1 tp -64.06 -32.46 74.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -145.54 74.04 1.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.806 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -73.02 163.53 28.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.158 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -173.47 101.63 0.12 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.94 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.608 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 2.7 m95 -100.35 148.64 24.47 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.273 -179.275 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.8 154.11 33.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.728 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.14 116.14 5.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.687 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.424 ' CE ' ' HA ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -117.82 -174.25 2.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.081 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.421 ' CE1' ' HB2' ' A' ' 44' ' ' TYR . 54.7 t80 -143.47 115.18 8.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.349 -179.615 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.698 HG23 ' HB2' ' A' ' 10' ' ' LEU . 2.3 t -122.98 152.78 27.79 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.324 0 CA-C-O 121.174 0.512 . . . . 0.0 111.919 -179.314 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.763 HG23 ' HB2' ' A' ' 7' ' ' GLN . 89.1 m -138.57 124.7 20.2 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.24 177.124 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.765 HD23 ' CZ3' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -105.47 114.23 28.28 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 178.319 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.1 t -106.11 159.46 16.06 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.055 0.455 . . . . 0.0 111.177 -178.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.412 ' HB2' ' O ' ' A' ' 3' ' ' ILE . 1.3 t -74.73 2.63 9.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.21 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -90.02 26.13 1.94 Allowed 'General case' 0 CA--C 1.523 -0.086 0 CA-C-O 120.748 0.308 . . . . 0.0 111.339 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 52.76 40.37 56.46 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.556 -0.83 . . . . 0.0 111.814 -179.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.419 ' CE1' ' HB2' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -137.94 132.4 32.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.001 0.429 . . . . 0.0 111.589 -179.588 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.967 HD23 HG21 ' A' ' 94' ' ' ILE . 1.4 tp -116.04 117.07 29.09 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.801 179.151 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.625 ' N ' HD12 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -119.05 150.73 39.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.828 0.347 . . . . 0.0 111.186 -179.478 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.516 ' HB2' HG22 ' A' ' 27' ' ' VAL . 0.4 OUTLIER -154.1 137.04 15.42 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.293 0.568 . . . . 0.0 111.31 179.598 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.491 ' HB3' ' HB3' ' A' ' 43' ' ' ASP . 0.5 OUTLIER -120.07 161.93 36.06 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.429 -179.861 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.424 ' HA ' ' CE ' ' A' ' 25' ' ' LYS . 78.7 Cg_exo -48.26 -34.67 25.22 Favored 'Trans proline' 0 CA--C 1.529 0.273 0 C-N-CA 122.659 2.24 . . . . 0.0 112.788 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.61 -167.72 0.46 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.885 0.374 . . . . 0.0 111.307 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.732 HG22 HD12 ' A' ' 45' ' ' ILE . 4.0 mp -65.3 -47.07 88.62 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.491 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 18.8 p-10 -51.59 -27.15 10.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.376 0.607 . . . . 0.0 109.976 179.19 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.498 ' HB3' ' O ' ' A' ' 48' ' ' THR . 5.4 m-20 -76.81 -42.77 39.22 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.734 179.535 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.421 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 0.4 OUTLIER -67.89 -51.08 52.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.237 0.541 . . . . 0.0 110.025 179.642 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.732 HD12 HG22 ' A' ' 41' ' ' ILE . 30.5 mt -59.13 -62.76 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.33 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.491 ' CD2' ' O ' ' A' ' 42' ' ' ASN . 16.0 m-70 -73.35 -24.39 60.34 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.904 -1.044 . . . . 0.0 112.369 -178.402 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.5 m 77.96 74.62 0.06 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.029 0.443 . . . . 0.0 111.383 179.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.498 ' O ' ' HB3' ' A' ' 43' ' ' ASP . 72.0 p -144.11 116.78 8.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.125 179.224 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 64.17 88.13 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.778 -0.452 . . . . 0.0 109.778 -178.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.463 ' HA3' ' CD2' ' A' ' 38' ' ' HIS . . . -137.28 86.82 0.23 Allowed Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.759 -179.624 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.454 ' HB3' ' CZ2' ' A' ' 102' ' ' TRP . 0.0 OUTLIER -68.38 153.62 43.4 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.85 0.357 . . . . 0.0 111.126 -179.429 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.429 ' HA ' ' O ' ' A' ' 35' ' ' LEU . 2.4 pt-20 -153.37 133.33 13.24 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.375 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.743 ' HE3' ' CE2' ' A' ' 102' ' ' TRP . 12.2 ptp -119.99 150.14 41.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.368 -179.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.6 p-10 -78.34 124.71 28.41 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 178.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.652 HD21 HG23 ' A' ' 119' ' ' ILE . 0.5 OUTLIER -86.81 32.26 0.67 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -179.12 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.25 -48.06 10.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.92 0.39 . . . . 0.0 110.487 179.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -129.25 58.19 1.62 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.327 179.673 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.63 HG22 ' O ' ' A' ' 95' ' ' VAL . 0.2 OUTLIER -104.15 161.94 13.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.092 -179.606 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.02 163.98 23.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.388 179.562 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' A' ' 93' ' ' LEU . 14.6 m -139.05 130.88 36.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.946 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.46 163.87 39.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.973 0.416 . . . . 0.0 111.487 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.776 HG12 ' O ' ' A' ' 91' ' ' GLU . 3.7 m -106.89 156.87 36.53 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.025 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -67.4 65.97 0.73 Allowed 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.567 2.178 . . . . 0.0 112.401 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 56.44 56.82 22.49 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.615 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.5 155.9 48.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.84 0.352 . . . . 0.0 110.963 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.3 ptp180 -73.87 155.42 88.74 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.815 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_endo -57.9 126.49 21.84 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.538 2.158 . . . . 0.0 112.132 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -73.35 127.7 12.13 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.432 2.088 . . . . 0.0 112.311 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.07 113.71 26.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.34 -32.41 22.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.103 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.0 mt -88.39 -63.38 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.149 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.2 p -165.52 173.7 10.68 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.8 17.61 10.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.606 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 2.4 t80 62.61 32.46 16.36 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.3 86.65 0.6 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.536 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.92 114.27 3.83 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.529 2.153 . . . . 0.0 112.305 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.0 t -153.18 38.6 0.5 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.963 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.21 -33.21 29.44 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.095 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 59.84 103.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.958 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -139.3 -152.21 5.85 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.462 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 27.8 t -129.21 75.29 1.64 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.768 0.318 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -176.11 60.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.056 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 60.69 -96.38 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.43 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.405 ' O ' ' HB2' ' A' ' 85' ' ' ALA . 2.3 tt0 -167.56 -74.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.823 0.344 . . . . 0.0 110.893 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.405 ' HB2' ' O ' ' A' ' 84' ' ' GLN . . . 177.63 119.47 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.03 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -165.36 31.89 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.111 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -68.45 -51.09 47.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.96 0.409 . . . . 0.0 110.668 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 50.4 52.82 14.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.462 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -103.19 103.86 13.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.537 179.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.448 ' CD2' ' HD3' ' A' ' 112' ' ' ARG . 2.8 m-85 -103.9 103.69 13.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.024 -179.388 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.776 ' O ' HG12 ' A' ' 62' ' ' VAL . 4.2 mp0 -151.33 136.43 17.46 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.531 179.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.634 ' CE1' HD11 ' A' ' 94' ' ' ILE . 9.5 p90 -131.85 148.17 52.53 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.936 0.398 . . . . 0.0 111.295 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.414 ' O ' ' HA ' ' A' ' 60' ' ' VAL . 1.3 mt -111.04 137.92 48.09 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.695 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.967 HG21 HD23 ' A' ' 35' ' ' LEU . 12.7 mm -113.76 108.93 26.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.116 -179.669 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.654 HG22 HG23 ' A' ' 101' ' ' THR . 84.5 t -99.84 123.73 52.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.876 0.369 . . . . 0.0 111.384 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.531 ' HA ' HG22 ' A' ' 58' ' ' THR . 8.6 t -91.84 171.61 9.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.719 179.63 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 11.0 t -68.85 -13.64 62.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.368 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.9 p -101.63 24.12 10.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.04 0.448 . . . . 0.0 111.191 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 69.45 6.15 53.09 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.924 -0.655 . . . . 0.0 113.103 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.3 115.47 16.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.995 0.397 . . . . 0.0 110.252 179.577 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.654 HG23 HG22 ' A' ' 95' ' ' VAL . 2.7 m -109.83 114.77 28.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.053 0.454 . . . . 0.0 111.637 -179.372 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.743 ' CE2' ' HE3' ' A' ' 53' ' ' MET . 32.3 m0 -100.28 105.58 17.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.444 179.036 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.608 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.8 OUTLIER -91.78 116.43 28.89 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.173 179.105 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.875 ' HB3' HD23 ' A' ' 10' ' ' LEU . 22.9 m-85 -121.28 162.71 19.77 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.533 0.682 . . . . 0.0 112.384 -179.168 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.475 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 1.0 OUTLIER -131.27 100.34 5.15 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 114.828 -1.078 . . . . 0.0 109.607 179.098 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.696 ' HB3' ' HB2' ' A' ' 112' ' ' ARG . . . -51.57 123.1 9.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.685 -179.371 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.64 -31.89 69.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.666 179.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -114.57 140.62 48.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.48 179.545 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.437 ' HA ' ' CD2' ' A' ' 90' ' ' PHE . 4.1 m-85 -57.72 -39.73 77.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.19 -179.748 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -72.73 -32.77 65.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.773 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -66.71 -36.84 83.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.091 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.696 ' HB2' ' HB3' ' A' ' 106' ' ' ALA . 0.0 OUTLIER -56.46 -49.45 74.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.867 -179.713 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -64.72 -43.84 92.14 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.4 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.448 ' HB1' ' HD3' ' A' ' 6' ' ' LYS . . . -55.9 -51.47 67.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.136 179.213 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.765 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 54.4 m95 -56.6 -55.74 30.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.665 178.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 112' ' ' ARG . 73.2 t -53.25 -37.17 27.58 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-O 120.891 0.377 . . . . 0.0 110.29 179.534 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.28 -29.88 57.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.986 178.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.471 ' HB2' HG22 ' A' ' 5' ' ' ILE . . . -69.11 -39.4 78.96 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.259 179.352 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.752 HD12 HD21 ' A' ' 29' ' ' LEU . 1.4 mm -67.29 -52.02 46.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.118 179.435 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.628 ' HA ' HD12 ' A' ' 123' ' ' ILE . 1.0 OUTLIER -65.23 -32.9 74.81 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.312 179.284 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 29.0 t -65.52 -40.86 93.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.681 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.716 ' OE1' HD12 ' A' ' 29' ' ' LEU . 1.6 mp0 -69.68 -32.92 71.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.46 179.664 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.628 HD12 ' HA ' ' A' ' 120' ' ' GLU . 19.0 mt -73.05 -38.43 55.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.88 179.627 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 3.3 tt -66.58 -37.24 84.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.532 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.42 -28.12 56.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.984 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.6 -34.18 25.2 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.171 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.58 -30.95 67.58 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.008 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.284 -0.865 . . . . 0.0 110.953 179.986 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.845 0.355 . . . . 0.0 111.159 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.479 ' O ' HD13 ' A' ' 3' ' ' ILE . . . -74.87 168.25 20.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.046 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.479 HD13 ' O ' ' A' ' 2' ' ' ALA . 10.6 mm -128.25 130.08 23.59 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.993 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -60.29 126.83 21.11 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.438 2.092 . . . . 0.0 112.165 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.527 HD11 ' CA ' ' A' ' 31' ' ' SER . 4.3 mp -92.81 -19.74 6.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.142 179.687 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.615 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 0.3 OUTLIER -177.2 110.35 0.08 Allowed 'General case' 0 C--O 1.216 -0.693 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.03 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.818 ' HB3' HG23 ' A' ' 28' ' ' THR . 20.0 pt20 -130.74 112.16 12.82 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-O 120.855 0.36 . . . . 0.0 110.554 179.237 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -164.54 -175.18 3.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.294 -179.573 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.54 ' CE1' HD11 ' A' ' 41' ' ' ILE . 3.0 m-85 -86.83 128.69 35.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.201 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.802 HD23 ' HB3' ' A' ' 104' ' ' PHE . 7.1 mp -120.49 155.25 33.98 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.169 179.485 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.482 HD23 ' HB2' ' A' ' 22' ' ' TRP . 1.3 tp -90.36 136.65 32.92 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.082 179.425 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.421 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.1 OUTLIER -123.08 114.35 20.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.207 -179.404 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.409 ' CB ' ' HD2' ' A' ' 20' ' ' LYS . 1.2 ptm180 -61.4 148.08 42.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.842 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.8 t -98.26 -65.45 0.96 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.001 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -169.02 -154.71 9.2 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.494 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.3 m120 61.49 113.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.834 0.349 . . . . 0.0 110.931 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.1 t -81.11 -34.64 32.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.54 -32.26 73.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.807 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -149.76 108.7 3.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.792 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.409 ' HD2' ' CB ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -59.39 176.27 0.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.05 0.452 . . . . 0.0 111.036 -179.915 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -168.7 98.91 0.4 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.863 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.516 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 2.1 m95 -102.37 143.0 32.68 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.246 -178.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.2 mtmt -117.04 161.12 19.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.438 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.13 117.43 6.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.846 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.4 tptt -118.7 178.24 4.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.826 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.51 ' CE1' ' CG ' ' A' ' 44' ' ' TYR . 52.0 t80 -135.79 127.81 29.65 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.325 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.659 HG21 HD22 ' A' ' 10' ' ' LEU . 1.4 t -136.82 144.52 32.15 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.294 0 CA-C-O 120.9 0.381 . . . . 0.0 111.83 -179.465 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.818 HG23 ' HB3' ' A' ' 7' ' ' GLN . 96.1 m -138.78 112.72 8.51 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.931 177.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.772 ' CD2' HD13 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -89.31 114.45 25.84 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 178.008 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 42.8 t -102.76 162.28 13.05 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 123.516 0.51 . . . . 0.0 111.251 -178.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.527 ' CA ' HD11 ' A' ' 5' ' ' ILE . 4.7 t -78.5 3.99 14.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.379 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -91.75 26.08 2.5 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.703 0.287 . . . . 0.0 111.317 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.429 ' C ' HD12 ' A' ' 55' ' ' LEU . . . 53.04 40.63 58.87 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.584 -0.817 . . . . 0.0 111.701 -179.723 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.62 ' N ' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -139.85 123.45 17.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.969 0.414 . . . . 0.0 111.231 -179.384 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 1.026 HD23 HG21 ' A' ' 94' ' ' ILE . 3.1 tp -99.01 117.11 32.8 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 178.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.499 HD23 ' HB3' ' A' ' 52' ' ' GLU . 0.3 OUTLIER -112.37 145.76 39.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.965 0.412 . . . . 0.0 111.6 -179.056 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.478 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -155.07 132.64 11.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.422 179.423 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.498 ' CD2' ' HA2' ' A' ' 50' ' ' GLY . 0.2 OUTLIER -120.29 160.74 42.3 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.972 -179.365 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -52.43 -27.73 32.86 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.733 2.288 . . . . 0.0 112.399 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.47 -174.78 1.24 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.815 0.341 . . . . 0.0 110.971 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.769 HG22 HD12 ' A' ' 45' ' ' ILE . 3.6 mp -63.83 -46.58 93.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.498 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 5.1 m-20 -51.77 -28.24 14.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.258 0.551 . . . . 0.0 110.271 179.309 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.438 ' CB ' ' HB3' ' A' ' 38' ' ' HIS . 1.5 m-20 -76.82 -40.13 48.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.762 179.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.51 ' CG ' ' CE1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -70.34 -51.22 31.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.185 0.517 . . . . 0.0 110.171 179.483 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.769 HD12 HG22 ' A' ' 41' ' ' ILE . 24.4 mt -58.53 -62.12 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.107 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.498 ' CD2' ' O ' ' A' ' 42' ' ' ASN . 14.8 m-70 -73.5 -24.66 60.2 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.845 -1.071 . . . . 0.0 112.185 -178.548 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.46 ' O ' ' OG ' ' A' ' 47' ' ' SER . 4.5 p 78.24 74.96 0.06 Allowed 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 121.213 0.53 . . . . 0.0 111.397 179.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 41.9 p -118.43 117.33 28.74 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.909 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 5.3 m170 72.69 -59.15 0.57 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.755 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.498 ' HA2' ' CD2' ' A' ' 38' ' ' HIS . . . 47.69 91.09 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.238 0 CA-C-N 115.638 -0.71 . . . . 0.0 113.056 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.444 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -83.57 132.8 34.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.629 0.252 . . . . 0.0 110.715 179.79 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.499 ' HB3' HD23 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -132.58 133.23 43.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.09 0.471 . . . . 0.0 111.063 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.568 ' CE ' ' CG ' ' A' ' 102' ' ' TRP . 0.1 OUTLIER -115.28 118.98 34.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.32 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.466 ' O ' HG23 ' A' ' 58' ' ' THR . 1.2 t70 -56.55 130.8 46.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.838 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.857 HD13 ' CB ' ' A' ' 122' ' ' GLN . 23.5 mt -98.32 33.39 2.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.245 -179.703 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.5 tp -83.14 -51.51 7.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.802 0.334 . . . . 0.0 110.822 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 31.9 mtm-85 -131.78 47.22 2.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.593 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.569 HG22 ' O ' ' A' ' 95' ' ' VAL . 0.6 OUTLIER -89.48 161.94 15.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.204 -179.641 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.7 172.11 11.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.534 179.587 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.766 HG11 HG23 ' A' ' 116' ' ' VAL . 14.3 t -126.83 122.97 61.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.016 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.674 ' HE3' HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -111.37 147.36 35.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.05 -179.736 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.3 t -128.92 122.62 21.48 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.976 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -72.98 62.61 4.01 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.418 2.079 . . . . 0.0 112.452 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 110.7 112.26 3.36 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.604 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.6 mmtt -63.09 171.72 2.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.813 0.34 . . . . 0.0 110.79 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 40.9 mtt85 59.92 161.28 0.1 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.409 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 54.4 Cg_exo -52.46 118.68 4.89 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.466 2.111 . . . . 0.0 112.323 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 67' ' ' PRO . 35.3 Cg_exo -59.95 151.4 72.05 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.412 2.075 . . . . 0.0 112.357 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -79.06 -177.05 5.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.902 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -87.06 -50.22 6.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 28.2 mm -87.67 -48.65 15.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.199 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.4 m -177.93 173.36 1.54 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.871 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.6 17.48 10.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.721 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -164.78 90.63 0.54 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.826 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -153.37 86.04 0.14 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.451 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -52.08 153.06 13.17 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.63 2.22 . . . . 0.0 112.307 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 27.4 p -160.21 126.71 4.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.819 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.12 -32.6 69.21 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.041 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.44 86.49 1.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -93.84 151.78 20.44 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.553 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.2 p -121.98 148.59 44.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.83 0.348 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -107.36 157.13 18.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.177 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 95.2 27.55 10.75 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.593 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -125.84 -43.56 1.84 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.843 0.354 . . . . 0.0 110.933 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -135.19 108.92 8.01 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.199 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -129.66 55.72 1.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.741 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -59.44 -54.38 47.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.017 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.459 ' HB3' ' CZ ' ' A' ' 109' ' ' PHE . 4.6 mt-10 53.39 26.58 5.5 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.147 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -65.95 110.74 3.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.815 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.492 ' CE2' ' CD1' ' A' ' 109' ' ' PHE . 7.5 m-85 -85.75 145.96 27.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.179 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -139.85 132.86 29.46 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.762 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.62 ' CE2' HD11 ' A' ' 94' ' ' ILE . 7.6 p90 -123.34 159.8 28.08 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.744 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.52 HD13 ' HB3' ' A' ' 61' ' ' LYS . 0.7 OUTLIER -120.4 149.18 42.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.02 0.438 . . . . 0.0 111.83 -179.224 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 1.026 HG21 HD23 ' A' ' 35' ' ' LEU . 14.1 mm -120.31 108.63 23.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.217 179.57 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.987 HG22 HG23 ' A' ' 101' ' ' THR . 59.8 t -103.59 135.63 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.981 0.42 . . . . 0.0 111.92 -179.322 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.519 ' HA ' HG22 ' A' ' 58' ' ' THR . 48.0 t -99.13 -173.98 2.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.258 179.226 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 28.7 p -88.0 -0.01 56.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.506 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.0 t -114.33 22.61 13.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.991 0.424 . . . . 0.0 110.896 179.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 83.59 -21.15 9.45 Favored Glycine 0 CA--C 1.519 0.317 0 C-N-CA 120.803 -0.713 . . . . 0.0 113.309 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.36 129.07 30.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 117.083 0.441 . . . . 0.0 110.864 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.987 HG23 HG22 ' A' ' 95' ' ' VAL . 2.0 m -131.88 114.84 15.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.885 0.374 . . . . 0.0 111.63 -179.646 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.633 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 35.4 m0 -95.3 105.56 17.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.223 179.025 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.516 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.7 OUTLIER -94.74 116.1 28.32 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.27 -0.572 . . . . 0.0 110.427 179.237 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.802 ' HB3' HD23 ' A' ' 10' ' ' LEU . 20.9 m-85 -121.76 166.01 14.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.212 0.529 . . . . 0.0 111.37 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.48 ' HB3' ' CB ' ' A' ' 11' ' ' LEU . 36.6 tt0 -126.76 107.11 9.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.744 178.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -52.5 121.56 7.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.901 -179.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.27 -30.61 71.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.416 179.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -118.48 147.8 43.25 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.349 179.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.492 ' CD1' ' CE2' ' A' ' 90' ' ' PHE . 17.2 m-30 -65.93 -38.35 88.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.284 -179.745 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.71 -37.4 65.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.08 0.467 . . . . 0.0 110.619 179.599 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.51 -35.69 80.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.483 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.62 -40.99 76.32 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.789 0.328 . . . . 0.0 110.937 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.611 ' O ' HG12 ' A' ' 116' ' ' VAL . 26.2 t0 -74.68 -35.57 62.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.616 179.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.477 ' HB1' ' HD3' ' A' ' 6' ' ' LYS . . . -64.45 -46.75 81.77 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 179.288 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.743 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 60.4 m95 -60.64 -53.0 62.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.73 178.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.766 HG23 HG11 ' A' ' 60' ' ' VAL . 2.4 p -53.82 -37.63 33.41 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-O 121.053 0.454 . . . . 0.0 110.223 179.409 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.49 ' HA ' ' HG2' ' A' ' 120' ' ' GLU . 4.3 mm-40 -77.09 -32.07 56.42 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.269 179.14 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.523 ' HB2' HG22 ' A' ' 5' ' ' ILE . . . -65.97 -47.3 75.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.819 179.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.627 HG13 HD21 ' A' ' 29' ' ' LEU . 2.7 mp -64.38 -48.49 85.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.608 179.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.801 ' HA ' HD12 ' A' ' 123' ' ' ILE . 11.1 pt-20 -68.08 -32.78 73.34 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.317 179.387 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 117' ' ' GLN . 7.6 m -66.0 -38.7 89.14 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.998 0.428 . . . . 0.0 110.21 179.386 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.857 ' CB ' HD13 ' A' ' 55' ' ' LEU . 0.9 OUTLIER -69.05 -34.57 75.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.321 179.514 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.801 HD12 ' HA ' ' A' ' 120' ' ' GLU . 20.0 mt -69.38 -36.97 74.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.003 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 2.1 tp -68.6 -41.36 79.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.728 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -74.23 -28.07 61.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.123 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 89.2 p -79.86 -29.9 40.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.93 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.21 -38.7 68.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.795 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.731 0.301 . . . . 0.0 111.267 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.69 177.16 4.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.026 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.404 ' CG2' ' HD2' ' A' ' 4' ' ' PRO . 15.8 mt -125.23 136.22 27.9 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.404 ' HD2' ' CG2' ' A' ' 3' ' ' ILE . 43.6 Cg_endo -68.46 133.75 28.95 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.508 2.139 . . . . 0.0 112.505 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.475 HG22 ' HB2' ' A' ' 118' ' ' ALA . 44.5 mm -95.0 -21.11 5.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.582 179.404 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.6 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 0.4 OUTLIER -179.95 110.24 0.04 OUTLIER 'General case' 0 C--O 1.217 -0.62 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 178.869 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.779 ' HB2' HG23 ' A' ' 28' ' ' THR . 0.1 OUTLIER -128.43 109.84 11.77 Favored 'General case' 0 C--N 1.312 -1.049 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.246 179.63 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.15 -175.05 4.38 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.25 -179.733 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.459 ' CE1' HD11 ' A' ' 41' ' ' ILE . 3.7 m-85 -88.93 125.71 35.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.955 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.77 HD23 ' HB3' ' A' ' 104' ' ' PHE . 7.6 mp -115.6 162.97 16.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.449 179.666 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.494 HD23 ' HB2' ' A' ' 22' ' ' TRP . 1.1 mp -98.66 141.8 31.02 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.227 179.296 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.446 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.0 OUTLIER -129.37 107.53 9.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.821 0.343 . . . . 0.0 111.097 -179.669 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.422 ' HB3' ' CE2' ' A' ' 22' ' ' TRP . 3.7 ptt180 -56.62 147.96 21.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.106 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -147.73 81.28 1.5 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 166.14 -151.26 19.52 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.439 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 54.9 m-20 -83.5 178.86 7.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.876 0.37 . . . . 0.0 110.914 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.7 m -78.64 -37.41 42.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.824 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.4 -34.12 65.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.839 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.1 t-20 -118.54 78.6 1.28 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.407 ' HD3' ' CZ2' ' A' ' 22' ' ' TRP . 5.2 mttt -73.57 158.96 33.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.045 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -164.32 98.48 0.82 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.821 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.494 ' HB2' HD23 ' A' ' 11' ' ' LEU . 3.3 m95 -93.65 131.5 38.89 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.35 -178.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.97 155.49 18.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.392 179.612 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.1 mmtp -63.09 121.3 13.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.982 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.427 ' CD ' ' HA ' ' A' ' 39' ' ' PRO . 17.7 mmtm -122.95 174.39 7.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.77 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.469 ' CD1' ' HB2' ' A' ' 44' ' ' TYR . 54.5 t80 -130.3 114.93 16.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.386 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.65 HG21 HD22 ' A' ' 10' ' ' LEU . 1.7 t -121.82 146.35 27.06 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.259 0 CA-C-O 121.047 0.451 . . . . 0.0 111.97 -179.442 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.779 HG23 ' HB2' ' A' ' 7' ' ' GLN . 86.9 m -138.75 111.45 7.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.641 177.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.799 HD12 ' OE1' ' A' ' 122' ' ' GLN . 0.2 OUTLIER -89.31 116.39 27.5 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 178.553 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.6 p -100.19 158.95 15.49 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.928 0.394 . . . . 0.0 111.542 -178.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.7 p -77.55 -0.03 24.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.089 179.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -90.41 26.16 2.04 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-O 120.832 0.348 . . . . 0.0 111.286 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 55.59 42.26 83.94 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.484 -0.865 . . . . 0.0 111.262 -179.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.426 ' CE2' ' HB2' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -137.35 129.77 29.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.935 0.397 . . . . 0.0 111.443 -179.078 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 1.066 HD23 HG21 ' A' ' 94' ' ' ILE . 2.8 tp -109.48 116.94 32.73 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.659 179.079 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.453 ' N ' HD12 ' A' ' 35' ' ' LEU . 0.5 OUTLIER -113.99 144.93 42.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.98 0.419 . . . . 0.0 111.566 -179.215 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.434 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -154.32 134.69 13.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.507 179.442 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.497 ' CD2' ' HA2' ' A' ' 50' ' ' GLY . 0.1 OUTLIER -123.01 159.26 54.75 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.894 -179.276 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.427 ' HA ' ' CD ' ' A' ' 25' ' ' LYS . 75.8 Cg_exo -50.23 -30.41 25.85 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.776 2.317 . . . . 0.0 112.548 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -172.47 -175.18 1.31 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.063 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.897 HG22 HD12 ' A' ' 45' ' ' ILE . 3.4 mp -62.29 -44.49 99.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.019 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.49 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 1.2 m120 -51.82 -29.39 19.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.262 0.553 . . . . 0.0 109.996 179.372 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.437 ' O ' ' HA ' ' A' ' 47' ' ' SER . 1.8 m-20 -76.98 -37.24 55.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.828 179.429 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.469 ' HB2' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -71.58 -51.37 23.72 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.283 0.563 . . . . 0.0 110.288 179.466 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.897 HD12 HG22 ' A' ' 41' ' ' ILE . 15.1 mt -60.29 -61.73 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.097 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.49 ' CD2' ' O ' ' A' ' 42' ' ' ASN . 13.0 m-70 -73.52 -24.6 60.17 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.786 -1.097 . . . . 0.0 112.221 -178.637 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.437 ' HA ' ' O ' ' A' ' 43' ' ' ASP . 4.2 t 76.1 73.16 0.08 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.885 0.374 . . . . 0.0 111.297 179.528 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 49.3 p -118.39 116.56 26.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.92 179.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 76.39 -60.04 0.49 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.516 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.497 ' HA2' ' CD2' ' A' ' 38' ' ' HIS . . . 45.66 90.32 0.01 OUTLIER Glycine 0 N--CA 1.453 -0.181 0 CA-C-N 115.578 -0.737 . . . . 0.0 113.062 179.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.9 133.21 35.3 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.724 0.297 . . . . 0.0 110.785 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.426 ' HB2' ' CE2' ' A' ' 34' ' ' PHE . 5.7 pt-20 -132.93 133.28 43.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.108 0.48 . . . . 0.0 110.916 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.548 ' CE ' ' CG ' ' A' ' 102' ' ' TRP . 0.5 OUTLIER -117.42 119.85 36.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.466 -179.742 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.447 ' O ' HG23 ' A' ' 58' ' ' THR . 2.6 m-20 -62.15 127.82 33.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.542 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.554 HD22 ' HB2' ' A' ' 122' ' ' GLN . 0.4 OUTLIER -97.28 40.33 1.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.437 -179.544 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.36 -46.24 12.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.817 0.341 . . . . 0.0 110.948 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.405 ' HB3' ' NH1' ' A' ' 57' ' ' ARG . 4.1 mmm180 -139.72 36.14 2.0 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.728 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.7 HG22 ' HA ' ' A' ' 96' ' ' SER . 0.9 OUTLIER -77.03 157.15 31.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.142 -179.775 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.02 150.5 42.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.401 179.443 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.466 HG11 HG13 ' A' ' 116' ' ' VAL . 21.2 t -104.8 114.35 44.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.167 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.444 ' HB3' HD13 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -101.87 142.33 33.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.806 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.436 ' HA ' ' HD3' ' A' ' 63' ' ' PRO . 11.3 m -137.52 125.38 14.23 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.146 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 62' ' ' VAL . 22.1 Cg_exo -64.58 69.8 0.24 Allowed 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.465 2.11 . . . . 0.0 111.978 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 62' ' ' VAL . . . 109.23 89.31 2.01 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.314 -179.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -48.67 173.28 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.83 0.347 . . . . 0.0 111.107 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.422 ' CB ' ' HD2' ' A' ' 67' ' ' PRO . 26.4 mtt180 63.41 167.2 0.1 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.567 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.472 ' HG2' ' HB2' ' A' ' 70' ' ' ALA . 9.5 Cg_endo -52.28 141.45 49.68 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.506 2.138 . . . . 0.0 112.07 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.449 ' HG3' ' CE1' ' A' ' 90' ' ' PHE . 38.5 Cg_endo -66.46 130.87 24.74 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.551 2.167 . . . . 0.0 112.409 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 46.59 41.07 9.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.223 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.472 ' HB2' ' HG2' ' A' ' 67' ' ' PRO . . . -57.88 -26.33 61.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.246 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.496 ' H ' HD12 ' A' ' 71' ' ' ILE . 3.2 mp -57.74 -43.57 84.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.105 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.0 m 56.96 -172.33 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.033 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.67 17.53 10.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.717 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -68.09 122.04 17.41 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.999 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.83 -148.77 17.07 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.531 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -67.96 -22.88 41.36 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.59 2.193 . . . . 0.0 112.384 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.5 m -68.05 77.03 0.23 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.966 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.33 -30.9 60.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.05 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 10.0 t -163.51 78.62 0.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.843 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -57.78 -175.94 0.48 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.569 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 32.7 t -95.59 124.92 39.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.802 0.334 . . . . 0.0 110.956 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -150.27 144.85 25.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.046 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -80.39 -74.88 1.09 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.51 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -161.64 81.32 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.8 0.333 . . . . 0.0 110.928 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -140.83 175.88 9.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -108.51 148.54 30.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.01 -24.3 62.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.104 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.432 ' HB3' ' CZ ' ' A' ' 109' ' ' PHE . 19.7 mm-40 -118.46 55.25 0.91 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.869 0.366 . . . . 0.0 111.124 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.93 103.62 9.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.492 179.638 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.451 ' CD2' ' HG2' ' A' ' 112' ' ' ARG . 3.0 m-85 -102.36 104.09 14.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.066 -179.499 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -144.91 132.4 20.84 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.606 ' CE2' HD11 ' A' ' 94' ' ' ILE . 6.9 p90 -122.0 162.45 21.11 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.962 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.444 HD13 ' HB3' ' A' ' 61' ' ' LYS . 0.6 OUTLIER -123.77 149.58 45.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.983 0.42 . . . . 0.0 111.541 -179.593 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 1.066 HG21 HD23 ' A' ' 35' ' ' LEU . 9.2 mm -120.55 108.68 23.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.378 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.798 HG22 HG23 ' A' ' 101' ' ' THR . 87.6 t -101.21 130.47 50.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.031 0.444 . . . . 0.0 111.629 -179.608 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.7 ' HA ' HG22 ' A' ' 58' ' ' THR . 0.2 OUTLIER -95.64 -174.06 3.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.258 179.105 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.5 t -82.96 -16.74 46.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.413 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.1 t -102.12 23.87 10.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.896 0.379 . . . . 0.0 111.144 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 82.85 -19.85 10.89 Favored Glycine 0 CA--C 1.52 0.389 0 C-N-CA 120.708 -0.758 . . . . 0.0 113.308 179.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -48.57 123.56 6.91 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 117.15 0.475 . . . . 0.0 110.749 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.798 HG23 HG22 ' A' ' 95' ' ' VAL . 1.3 m -125.36 114.56 19.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.027 0.442 . . . . 0.0 111.887 -179.386 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.67 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 33.7 m0 -97.79 106.95 19.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.182 178.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.494 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.8 OUTLIER -97.09 116.54 29.47 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.523 179.255 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.77 ' HB3' HD23 ' A' ' 10' ' ' LEU . 17.9 m-85 -123.72 164.74 18.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.372 0.606 . . . . 0.0 111.896 -179.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.467 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 36.4 tt0 -129.8 106.56 8.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.153 -0.931 . . . . 0.0 109.722 178.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.653 ' HB3' ' HB2' ' A' ' 112' ' ' ARG . . . -52.39 127.56 22.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.736 -179.225 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.85 -29.19 70.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.554 179.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -125.8 146.86 49.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.38 179.636 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.432 ' CZ ' ' HB3' ' A' ' 88' ' ' GLU . 17.6 m-85 -62.3 -34.27 76.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.155 -179.633 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.12 -43.71 70.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.126 0.489 . . . . 0.0 110.353 179.558 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.15 -31.54 72.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.618 179.534 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.653 ' HB2' ' HB3' ' A' ' 106' ' ' ALA . 7.1 tpt180 -55.97 -45.19 78.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.909 -179.651 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -74.35 -42.86 58.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.648 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -55.23 -51.42 66.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.869 0.366 . . . . 0.0 110.235 179.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.755 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 51.4 m95 -56.49 -56.98 14.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.655 178.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.466 HG13 HG11 ' A' ' 60' ' ' VAL . 55.9 t -53.24 -35.51 23.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-O 120.85 0.357 . . . . 0.0 110.236 179.466 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.87 -31.87 61.73 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.735 178.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.475 ' HB2' HG22 ' A' ' 5' ' ' ILE . . . -69.63 -35.24 75.05 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.324 179.273 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.615 ' CD1' HD21 ' A' ' 29' ' ' LEU . 4.7 mm -68.33 -52.13 40.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.417 179.521 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.669 ' HA ' HD12 ' A' ' 123' ' ' ILE . 37.7 mt-10 -67.83 -32.76 73.52 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.29 179.371 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 40.8 t -67.85 -38.6 83.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.263 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.799 ' OE1' HD12 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -69.77 -32.63 71.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.257 179.456 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.669 HD12 ' HA ' ' A' ' 120' ' ' GLU . 14.6 mt -74.09 -36.39 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.811 179.609 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.408 HD23 ' O ' ' A' ' 124' ' ' LEU . 2.5 tt -68.62 -35.56 77.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.609 179.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.39 -32.25 58.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.974 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -78.09 -29.49 49.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.91 -68.36 0.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.969 0.414 . . . . 0.0 110.829 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.874 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.79 0.329 . . . . 0.0 111.251 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.601 ' HB2' ' ND2' ' A' ' 32' ' ' ASN . . . -120.59 171.19 8.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.09 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.425 ' O ' HD12 ' A' ' 5' ' ' ILE . 3.1 mp -136.74 136.45 21.61 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 14.9 Cg_exo -68.6 127.82 16.14 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.614 2.209 . . . . 0.0 112.502 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.506 ' N ' HD12 ' A' ' 5' ' ' ILE . 1.7 mp -94.02 -20.06 6.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.937 179.376 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.605 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 2.6 tptt -175.39 110.31 0.11 Allowed 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 179.019 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.83 ' HB3' HG23 ' A' ' 28' ' ' THR . 22.8 pt20 -130.65 108.72 10.11 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-O 120.898 0.38 . . . . 0.0 110.508 179.432 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.0 m -162.18 -175.14 4.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.154 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.542 ' CD1' HD11 ' A' ' 41' ' ' ILE . 1.1 m-85 -85.1 136.16 33.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.116 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.792 HD23 ' HB3' ' A' ' 104' ' ' PHE . 6.0 mp -128.12 153.53 46.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.35 179.595 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.446 ' CB ' ' HB3' ' A' ' 105' ' ' GLU . 1.2 mp -89.93 135.93 33.34 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 179.288 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.428 ' HB2' ' HG3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -124.72 119.39 28.82 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.846 0.355 . . . . 0.0 111.238 -179.724 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.407 ' CG ' ' HG2' ' A' ' 20' ' ' LYS . 4.7 ttp180 -47.46 148.02 1.51 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.252 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.3 t -74.97 -47.97 26.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.977 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 167.34 -69.21 0.18 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.578 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -59.57 142.55 52.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.828 0.347 . . . . 0.0 110.945 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.87 -44.22 13.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.0 tp -59.48 -36.18 75.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.858 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.9 t30 -118.75 71.13 0.84 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.749 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.407 ' HG2' ' CG ' ' A' ' 13' ' ' ARG . 2.3 mttt -57.65 151.17 17.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -166.97 99.72 0.54 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.787 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.487 ' CZ3' ' HB2' ' A' ' 105' ' ' GLU . 4.1 m95 -93.06 139.47 30.51 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.508 -178.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.6 161.61 15.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.348 179.545 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.82 108.94 7.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.042 0.449 . . . . 0.0 111.156 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.449 ' CD ' ' HA ' ' A' ' 39' ' ' PRO . 3.6 mmmt -108.13 -179.08 3.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.491 179.576 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.475 ' CD1' ' HB2' ' A' ' 44' ' ' TYR . 55.5 t80 -136.05 114.63 11.85 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.223 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.638 HG21 HD22 ' A' ' 10' ' ' LEU . 1.6 t -119.05 145.26 25.39 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.392 0 CA-C-O 120.995 0.426 . . . . 0.0 111.78 -179.404 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.83 HG23 ' HB3' ' A' ' 7' ' ' GLN . 95.2 m -138.74 111.14 7.47 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.934 177.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.78 ' CD2' HD13 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -89.2 114.93 26.3 Favored 'General case' 0 N--CA 1.444 -0.741 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 177.928 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.4 ' C ' HD13 ' A' ' 5' ' ' ILE . 26.7 t -102.35 164.56 11.61 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.988 0.423 . . . . 0.0 111.532 -178.485 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.492 ' HB2' HD11 ' A' ' 5' ' ' ILE . 5.5 t -80.29 2.98 22.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.113 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.601 ' ND2' ' HB2' ' A' ' 2' ' ' ALA . 0.3 OUTLIER -92.84 26.0 2.93 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.043 179.866 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 53.26 43.26 64.29 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.602 -0.809 . . . . 0.0 111.689 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.527 ' N ' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -139.58 123.65 17.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.026 0.441 . . . . 0.0 111.516 -179.496 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.861 HD23 HG21 ' A' ' 94' ' ' ILE . 2.6 tp -101.43 116.98 34.02 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.648 179.05 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.504 ' N ' HD12 ' A' ' 35' ' ' LEU . 0.5 OUTLIER -113.03 144.03 43.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.054 0.454 . . . . 0.0 111.725 -179.226 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.445 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -152.44 125.21 8.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.34 179.234 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.483 ' HB3' ' CB ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -116.28 161.57 30.73 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.675 -179.411 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.449 ' HA ' ' CD ' ' A' ' 25' ' ' LYS . 83.6 Cg_exo -47.64 -39.95 30.33 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.722 2.282 . . . . 0.0 112.989 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.3 p -166.61 -176.2 3.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.763 0.316 . . . . 0.0 111.116 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.74 HG22 HD12 ' A' ' 45' ' ' ILE . 3.4 mp -58.23 -44.17 87.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.11 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.521 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 30.3 m120 -51.81 -27.4 12.28 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.436 0.636 . . . . 0.0 109.923 179.127 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.791 ' HA ' HG23 ' A' ' 48' ' ' THR . 4.0 m-20 -76.95 -38.92 52.39 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.811 179.553 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.475 ' HB2' ' CD1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -72.47 -51.38 20.42 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 121.248 0.547 . . . . 0.0 110.008 179.46 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.74 HD12 HG22 ' A' ' 41' ' ' ILE . 19.4 mt -56.58 -61.3 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.965 179.61 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.521 ' CD2' ' O ' ' A' ' 42' ' ' ASN . 14.4 m-70 -73.72 -25.69 60.33 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.743 -178.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 75.02 72.12 0.09 Allowed 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 178.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.791 HG23 ' HA ' ' A' ' 43' ' ' ASP . 27.6 p -86.59 -152.91 0.19 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 178.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -38.79 -56.37 1.36 Allowed 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.919 0.39 . . . . 0.0 111.375 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.471 ' HA2' ' CD2' ' A' ' 38' ' ' HIS . . . 59.15 99.15 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.713 179.55 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.406 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -80.42 137.78 36.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.771 0.32 . . . . 0.0 110.923 179.775 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -131.95 133.31 44.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.835 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.541 ' CE ' ' CG ' ' A' ' 102' ' ' TRP . 0.5 OUTLIER -117.28 119.32 34.81 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.525 -179.85 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -55.89 129.78 40.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.501 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.787 HD13 ' CB ' ' A' ' 122' ' ' GLN . 44.6 mt -94.91 30.55 2.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.474 -179.421 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.13 -59.27 2.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.835 0.35 . . . . 0.0 110.586 179.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.42 55.02 1.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.133 0.492 . . . . 0.0 110.408 179.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.422 ' OG1' ' HA ' ' A' ' 55' ' ' LEU . 0.1 OUTLIER -100.9 162.21 13.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.175 -179.725 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -133.01 160.64 36.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.526 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.765 HG11 HG13 ' A' ' 116' ' ' VAL . 21.7 t -131.12 122.62 51.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.579 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.435 ' HE3' HG21 ' A' ' 95' ' ' VAL . 5.3 ptpt -145.98 162.06 38.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.01 0.433 . . . . 0.0 111.614 -179.512 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.446 ' CG1' ' HD2' ' A' ' 63' ' ' PRO . 3.3 t -95.01 139.91 22.26 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.515 179.704 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.464 ' HG3' ' NE2' ' A' ' 103' ' ' HIS . 92.9 Cg_exo -45.4 91.73 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.631 2.221 . . . . 0.0 113.178 -179.445 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.28 -55.67 4.96 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.948 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.6 ttpp -72.86 167.47 20.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.986 0.422 . . . . 0.0 111.279 -179.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.525 ' HB2' ' HD2' ' A' ' 67' ' ' PRO . 7.2 ptm180 -82.34 171.39 12.0 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.465 179.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.525 ' HD2' ' HB2' ' A' ' 66' ' ' ARG . 76.1 Cg_exo -52.08 144.66 36.65 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.265 1.977 . . . . 0.0 112.137 -179.67 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.413 ' HG3' ' CZ ' ' A' ' 112' ' ' ARG . 71.2 Cg_endo -73.33 96.46 0.89 Allowed 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.643 2.229 . . . . 0.0 112.523 -179.732 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.87 140.41 24.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.737 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.62 -38.32 77.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 32.5 mm -70.64 -33.46 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.101 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 27.5 p -108.14 48.86 0.83 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.61 17.56 10.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.682 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -75.15 140.45 43.37 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.849 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 179.54 90.77 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.513 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -52.3 139.18 54.91 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.571 2.18 . . . . 0.0 112.339 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -113.76 102.99 10.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -84.53 -31.07 24.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.149 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.0 t -89.42 53.19 2.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 112.29 -166.21 12.17 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.534 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.5 p -143.33 37.07 1.36 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.824 0.345 . . . . 0.0 110.881 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -79.18 164.1 24.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.137 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -149.1 59.69 0.45 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.458 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -160.95 73.01 0.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.895 0.378 . . . . 0.0 110.921 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -154.57 32.12 0.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.099 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -153.86 31.83 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.814 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -68.25 -49.53 60.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.455 ' HA ' ' CZ ' ' A' ' 109' ' ' PHE . 2.5 mt-10 -138.77 40.83 2.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.848 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -120.95 103.6 9.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.954 0.407 . . . . 0.0 111.032 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.712 ' HD2' ' HB3' ' A' ' 106' ' ' ALA . 0.1 OUTLIER -128.57 132.3 48.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.878 179.839 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -150.19 130.69 13.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.65 -179.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.658 ' CE1' HD11 ' A' ' 94' ' ' ILE . 12.7 p90 -121.08 147.89 44.92 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.806 0.336 . . . . 0.0 111.368 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.409 HD23 ' HB2' ' A' ' 103' ' ' HIS . 2.7 mt -111.0 143.47 41.64 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.465 -179.418 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.861 HG21 HD23 ' A' ' 35' ' ' LEU . 11.1 mm -114.55 108.71 26.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.229 179.588 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.435 HG21 ' HE3' ' A' ' 61' ' ' LYS . 91.4 t -103.08 128.36 56.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.972 0.415 . . . . 0.0 111.845 -179.351 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.84 -174.05 3.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.093 179.067 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.6 m -88.28 0.01 56.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.549 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.5 t -114.81 23.01 12.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.89 0.376 . . . . 0.0 110.83 179.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 82.52 -20.57 8.73 Favored Glycine 0 CA--C 1.52 0.345 0 C-N-CA 120.723 -0.751 . . . . 0.0 113.31 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -53.4 126.81 22.61 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.977 0.389 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.446 ' HA ' ' O ' ' A' ' 94' ' ' ILE . 10.7 m -127.36 114.69 17.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.507 -179.67 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.676 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 37.3 m0 -95.32 105.8 17.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.362 179.212 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.464 ' NE2' ' HG3' ' A' ' 63' ' ' PRO . 0.9 OUTLIER -94.17 116.42 28.83 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.959 179.601 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.792 ' HB3' HD23 ' A' ' 10' ' ' LEU . 16.9 m-85 -126.62 153.82 44.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.274 0.559 . . . . 0.0 111.591 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.487 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 50.2 tt0 -116.07 108.77 16.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.602 178.643 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.712 ' HB3' ' HD2' ' A' ' 90' ' ' PHE . . . -53.45 125.05 16.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.88 -179.011 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -71.83 -31.7 66.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.234 179.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -120.52 136.13 54.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.27 179.502 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.542 ' CE1' ' CD1' ' A' ' 90' ' ' PHE . 0.8 OUTLIER -55.05 -51.92 64.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.289 -179.442 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.77 -39.62 85.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.994 0.426 . . . . 0.0 110.675 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.445 ' HG2' ' CD1' ' A' ' 115' ' ' TRP . 2.2 tt0 -65.46 -33.09 75.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.861 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.413 ' CZ ' ' HG3' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -56.57 -49.69 74.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.129 -179.876 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -68.67 -39.16 80.75 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.504 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 118' ' ' ALA . . . -58.74 -50.03 75.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.281 179.38 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.721 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 55.1 m95 -58.64 -54.76 43.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 178.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.765 HG13 HG11 ' A' ' 60' ' ' VAL . 53.3 t -55.02 -35.94 36.68 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.476 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -78.42 -28.14 46.73 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.297 178.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 114' ' ' ALA . . . -67.98 -51.77 43.53 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.298 179.443 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.687 HG13 HD21 ' A' ' 29' ' ' LEU . 3.6 mp -61.46 -46.12 97.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.189 179.327 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.97 -32.66 74.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.973 0.416 . . . . 0.0 110.331 179.281 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 30.7 t -70.31 -45.03 67.09 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.772 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.787 ' CB ' HD13 ' A' ' 55' ' ' LEU . 1.4 mp0 -64.18 -31.41 72.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.436 179.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.448 ' HA ' ' O ' ' A' ' 55' ' ' LEU . 34.8 mt -73.55 -36.25 47.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.925 179.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 1.5 mp -68.79 -36.35 78.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.703 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.34 -31.23 58.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.047 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.23 -28.81 47.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 16.0 mt -59.54 -47.09 86.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.812 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.912 179.972 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 120.811 0.339 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -92.14 158.52 16.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.1 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.422 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 3.8 mt -124.02 133.86 24.97 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.998 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 25.2 Cg_exo -62.26 128.06 22.81 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.386 2.057 . . . . 0.0 112.347 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.435 HG22 ' HB2' ' A' ' 118' ' ' ALA . 40.9 mm -93.84 -19.58 6.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.095 179.694 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.61 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 0.2 OUTLIER 177.08 110.71 0.02 OUTLIER 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 179.086 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.752 ' HB2' HG23 ' A' ' 28' ' ' THR . 20.8 tt0 -129.64 117.0 19.68 Favored 'General case' 0 C--N 1.311 -1.072 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.332 179.537 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 99.0 p -172.29 -175.13 1.35 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.007 0.432 . . . . 0.0 111.193 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.472 ' CE1' HD11 ' A' ' 41' ' ' ILE . 6.6 m-85 -84.64 134.92 34.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.053 -179.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.816 HD23 ' HB3' ' A' ' 104' ' ' PHE . 6.5 mp -126.84 151.51 48.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.651 179.745 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.641 HD22 ' OE1' ' A' ' 105' ' ' GLU . 1.1 mp -86.49 139.46 30.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.482 179.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.447 ' HB3' ' HD2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -130.16 108.53 10.12 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.326 -179.792 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.436 ' HB3' ' CE2' ' A' ' 22' ' ' TRP . 3.5 ptt85 -59.01 147.3 35.07 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 179.652 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.2 t -161.27 116.05 2.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.94 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 149.03 -75.37 0.26 Allowed Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.457 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 -166.13 177.38 6.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.805 0.335 . . . . 0.0 111.013 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.13 -35.53 21.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.909 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.13 -34.11 75.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.942 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -132.91 85.39 2.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.417 ' HD3' ' CZ2' ' A' ' 22' ' ' TRP . 10.1 mttt -64.26 159.63 20.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -164.33 98.66 0.82 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.808 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.501 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 4.1 m95 -92.98 134.76 34.79 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.546 -178.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.28 153.56 24.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.109 179.444 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.1 119.56 9.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.019 0.437 . . . . 0.0 110.932 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.447 ' HD2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -117.65 -177.32 3.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.542 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.533 ' CE1' ' CG ' ' A' ' 44' ' ' TYR . 39.2 t80 -138.84 115.1 10.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.346 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.687 HG21 HD22 ' A' ' 10' ' ' LEU . 1.8 t -121.88 147.32 25.97 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.3 0 CA-C-O 120.954 0.407 . . . . 0.0 111.764 -179.274 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.752 HG23 ' HB2' ' A' ' 7' ' ' GLN . 90.4 m -138.68 110.39 7.12 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.08 177.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.731 HD21 HG13 ' A' ' 119' ' ' ILE . 0.2 OUTLIER -89.53 115.27 26.82 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 177.606 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 26.6 t -105.48 161.22 14.52 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.022 0.439 . . . . 0.0 111.32 -178.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.1 t -76.07 2.1 13.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.195 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -91.08 26.06 2.27 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.745 0.307 . . . . 0.0 111.132 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 52.43 40.67 54.36 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.695 -0.764 . . . . 0.0 111.799 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.481 ' N ' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -138.27 123.5 19.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.067 0.461 . . . . 0.0 111.339 -179.537 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.913 HD23 HG21 ' A' ' 94' ' ' ILE . 2.0 tp -101.25 116.98 34.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.727 179.215 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.538 ' N ' HD12 ' A' ' 35' ' ' LEU . 1.0 OUTLIER -112.3 148.51 34.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.014 0.435 . . . . 0.0 111.585 -179.297 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.513 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -158.83 132.23 7.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.662 179.383 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.496 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 0.1 OUTLIER -120.09 162.99 30.71 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.27 -179.539 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.496 ' HD2' ' HB3' ' A' ' 38' ' ' HIS . 42.7 Cg_endo -68.65 -28.26 31.34 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.299 2.0 . . . . 0.0 112.73 -179.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 74.4 m -154.34 163.02 40.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.719 0.295 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.756 HG22 HD12 ' A' ' 45' ' ' ILE . 2.6 mp -56.23 -39.24 58.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.639 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.498 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 33.1 m-80 -53.03 -28.54 24.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.296 0.57 . . . . 0.0 109.942 179.051 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.461 ' CB ' ' HB3' ' A' ' 38' ' ' HIS . 1.4 m-20 -77.06 -37.49 54.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.684 179.545 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.533 ' CG ' ' CE1' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -71.27 -51.18 25.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.256 0.551 . . . . 0.0 110.201 179.534 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.756 HD12 HG22 ' A' ' 41' ' ' ILE . 24.0 mt -60.05 -62.14 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.169 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.498 ' CD2' ' O ' ' A' ' 42' ' ' ASN . 12.7 m-70 -73.54 -24.55 60.14 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.69 -1.141 . . . . 0.0 112.182 -178.565 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.443 ' HA ' ' O ' ' A' ' 43' ' ' ASP . 1.5 m 76.42 73.45 0.08 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.895 0.379 . . . . 0.0 111.299 179.541 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.461 ' O ' ' HB2' ' A' ' 49' ' ' HIS . 44.1 p -120.27 117.74 28.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.618 179.461 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.461 ' HB2' ' O ' ' A' ' 48' ' ' THR . 12.6 m170 71.42 -61.15 0.49 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.23 -179.226 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.459 ' HA2' ' CD2' ' A' ' 38' ' ' HIS . . . 41.5 88.23 0.01 OUTLIER Glycine 0 N--CA 1.454 -0.103 0 CA-C-N 115.505 -0.77 . . . . 0.0 113.091 179.421 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.453 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -68.86 135.79 51.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.782 0.325 . . . . 0.0 110.644 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.503 ' HG3' HD23 ' A' ' 36' ' ' LEU . 1.9 mt-10 -131.82 133.19 44.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.546 ' HE2' ' CE2' ' A' ' 102' ' ' TRP . 0.5 OUTLIER -118.11 118.14 31.09 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.438 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -56.99 131.57 50.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.518 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.666 ' CD2' HG23 ' A' ' 119' ' ' ILE . 1.1 mt -95.99 27.55 3.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.55 -179.251 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.0 mt -83.16 -54.57 4.93 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.783 0.325 . . . . 0.0 110.746 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.29 57.0 1.42 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.655 179.73 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.574 HG22 ' O ' ' A' ' 95' ' ' VAL . 0.4 OUTLIER -105.73 162.07 13.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.037 -179.886 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.91 153.11 50.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.745 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.679 HG11 HG13 ' A' ' 116' ' ' VAL . 15.8 t -124.91 124.17 67.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.801 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.409 ' N ' ' HD2' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -155.99 164.69 38.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.908 0.385 . . . . 0.0 111.694 -179.71 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.824 HG12 ' O ' ' A' ' 91' ' ' GLU . 34.4 m -107.36 156.37 37.83 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.81 179.683 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.437 ' HG3' ' HE2' ' A' ' 103' ' ' HIS . 84.9 Cg_endo -82.49 98.73 0.92 Allowed 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.621 2.214 . . . . 0.0 112.937 -179.435 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.15 -54.91 4.91 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.919 179.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.11 170.55 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.824 0.345 . . . . 0.0 111.232 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -86.55 161.55 47.88 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.65 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_endo -61.83 118.64 5.53 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.439 2.093 . . . . 0.0 112.076 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -57.46 126.83 23.17 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.378 2.052 . . . . 0.0 112.18 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.36 155.59 46.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.961 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.463 ' HB3' HD12 ' A' ' 71' ' ' ILE . . . -72.3 -42.55 65.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.198 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.463 HD12 ' HB3' ' A' ' 70' ' ' ALA . 3.8 mp -126.87 -67.45 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.001 0.429 . . . . 0.0 111.182 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.6 t 61.26 115.09 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.18 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.79 17.48 10.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.724 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -86.09 165.79 16.34 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.877 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 59.14 83.22 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.51 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.35 174.47 0.1 OUTLIER 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.604 2.203 . . . . 0.0 112.293 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 93.4 p -90.59 125.13 35.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.975 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -83.95 -31.19 25.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.1 m 60.55 89.6 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 135.19 -43.78 1.23 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 26.0 m -71.55 120.23 16.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.783 0.325 . . . . 0.0 110.961 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -104.21 177.38 4.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 75.37 25.54 68.0 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.476 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -116.01 -36.96 3.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.847 0.356 . . . . 0.0 110.923 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -87.87 -167.59 1.93 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.042 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 45.65 31.68 1.02 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.435 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -61.92 -48.42 80.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.687 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.536 ' HA ' ' CZ ' ' A' ' 109' ' ' PHE . 3.6 mt-10 56.0 27.55 11.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.455 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -105.7 103.37 12.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.779 0.323 . . . . 0.0 110.979 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.579 ' CD1' ' CE1' ' A' ' 109' ' ' PHE . 0.1 OUTLIER -125.64 106.24 9.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.116 0.484 . . . . 0.0 111.315 179.665 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.824 ' O ' HG12 ' A' ' 62' ' ' VAL . 2.2 mp0 -140.93 129.88 23.18 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.946 179.65 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.619 ' CE2' HD11 ' A' ' 94' ' ' ILE . 8.2 p90 -124.97 144.8 50.18 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.964 0.412 . . . . 0.0 111.548 -179.193 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.47 HD23 ' HB2' ' A' ' 103' ' ' HIS . 0.7 OUTLIER -109.29 142.44 40.17 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.972 179.906 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.913 HG21 HD23 ' A' ' 35' ' ' LEU . 14.2 mm -110.89 108.49 25.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.355 179.469 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.846 HG22 HG23 ' A' ' 101' ' ' THR . 69.0 t -100.19 131.63 47.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.965 0.412 . . . . 0.0 111.439 -179.587 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.459 ' HA ' HG22 ' A' ' 58' ' ' THR . 0.1 OUTLIER -98.1 -174.04 2.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.161 179.323 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.9 t -83.84 -16.49 44.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.401 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.8 t -102.18 23.46 11.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.862 0.363 . . . . 0.0 111.201 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 82.06 -19.77 9.47 Favored Glycine 0 CA--C 1.52 0.382 0 C-N-CA 120.651 -0.785 . . . . 0.0 113.409 179.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.52 119.99 4.69 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 117.038 0.419 . . . . 0.0 110.74 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.846 HG23 HG22 ' A' ' 95' ' ' VAL . 0.8 OUTLIER -121.69 114.86 21.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.968 0.413 . . . . 0.0 111.754 -179.256 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.662 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 33.3 m0 -97.18 105.48 17.63 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.027 178.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.501 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.8 OUTLIER -95.03 116.4 28.65 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.696 179.539 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.816 ' HB3' HD23 ' A' ' 10' ' ' LEU . 18.6 m-85 -124.84 160.67 28.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.335 0.588 . . . . 0.0 111.811 -179.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.641 ' OE1' HD22 ' A' ' 11' ' ' LEU . 0.7 OUTLIER -125.86 108.61 11.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.644 178.79 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.66 ' HB3' ' HB3' ' A' ' 112' ' ' ARG . . . -53.87 121.17 7.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.572 -179.229 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.21 -34.23 73.36 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.46 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.6 p -117.67 149.31 40.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.424 179.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.579 ' CE1' ' CD1' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -62.85 -29.37 70.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.192 -179.582 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -74.17 -32.75 63.22 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.001 0.429 . . . . 0.0 110.967 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.29 -34.77 65.93 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.165 -179.038 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.732 ' O ' HG23 ' A' ' 116' ' ' VAL . 2.3 ppt_? -56.53 -44.44 80.81 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.0 -179.235 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -74.83 -49.66 19.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.786 0.327 . . . . 0.0 110.865 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.438 ' HB1' ' HD3' ' A' ' 6' ' ' LYS . . . -52.56 -52.64 54.01 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.556 179.699 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.706 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 53.9 m95 -56.54 -53.33 58.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.942 179.034 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 112' ' ' ARG . 83.4 t -55.53 -35.03 36.56 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-O 120.952 0.406 . . . . 0.0 110.259 179.581 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -79.16 -29.19 42.9 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.589 179.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.435 ' HB2' HG22 ' A' ' 5' ' ' ILE . . . -66.62 -50.72 62.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.058 0.456 . . . . 0.0 110.484 179.583 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.731 HG13 HD21 ' A' ' 29' ' ' LEU . 3.9 mp -64.17 -46.95 92.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.076 179.3 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.439 ' HA ' HD12 ' A' ' 123' ' ' ILE . 2.3 mm-40 -64.87 -32.64 74.44 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.887 0.375 . . . . 0.0 110.288 179.118 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.1 m -69.31 -47.91 63.09 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.647 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.579 ' OE1' HD12 ' A' ' 29' ' ' LEU . 3.0 mp0 -60.81 -32.77 72.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.496 179.658 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.467 ' HA ' ' O ' ' A' ' 55' ' ' LEU . 33.0 mt -72.7 -36.3 52.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.869 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 40.2 tp -68.7 -37.2 79.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.734 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.34 -29.0 57.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.045 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.32 -31.44 38.09 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.993 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.429 HD22 ' HA ' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -73.65 -30.85 63.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.973 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 70.9 mm-40 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.903 -179.958 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.853 0.359 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -113.13 171.46 7.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.161 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.41 ' O ' ' HB2' ' A' ' 31' ' ' SER . 20.1 mm -117.28 132.6 23.44 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.813 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 38.9 Cg_exo -56.88 125.64 19.66 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.279 1.986 . . . . 0.0 112.409 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.453 HG22 ' HB2' ' A' ' 118' ' ' ALA . 43.3 mm -93.11 -20.7 6.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.273 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.622 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 0.3 OUTLIER 179.08 110.45 0.03 OUTLIER 'General case' 0 C--O 1.218 -0.59 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.081 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.785 ' HB3' HG23 ' A' ' 28' ' ' THR . 8.2 pt20 -129.82 108.91 10.51 Favored 'General case' 0 C--N 1.312 -1.022 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.504 179.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.1 m -163.63 -175.15 4.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.288 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.47 ' CE1' HD11 ' A' ' 41' ' ' ILE . 2.5 m-85 -83.23 140.3 32.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.021 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.8 HD23 ' HB3' ' A' ' 104' ' ' PHE . 5.5 mp -133.5 156.6 47.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.543 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.433 ' CD2' ' HB2' ' A' ' 22' ' ' TRP . 1.3 tp -93.83 130.66 39.77 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 179.11 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.416 ' CB ' ' HG3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -116.19 118.76 33.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.001 0.429 . . . . 0.0 111.395 -179.436 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.412 ' CG ' ' HG2' ' A' ' 20' ' ' LYS . 12.7 ttp180 -52.38 148.0 7.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.039 179.545 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 93.0 p -97.63 -37.39 9.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.968 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 158.85 162.12 11.67 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.495 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 63.22 142.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.828 0.347 . . . . 0.0 110.91 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.5 m -86.67 -55.99 3.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.96 -38.14 81.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.773 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -107.44 52.71 0.71 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.64 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.412 ' HG2' ' CG ' ' A' ' 13' ' ' ARG . 0.7 OUTLIER -57.91 161.2 4.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.215 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -170.59 100.37 0.25 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.899 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.532 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 3.4 m95 -97.58 148.69 23.02 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.325 -179.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.28 158.99 28.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.584 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt -67.54 123.41 20.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.984 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.416 ' HG3' ' CB ' ' A' ' 12' ' ' LYS . 3.6 mttp -124.96 -177.47 3.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.754 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.496 ' CE1' ' CG ' ' A' ' 44' ' ' TYR . 43.7 t80 -137.83 114.78 10.74 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.075 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.661 HG21 HD22 ' A' ' 10' ' ' LEU . 1.7 t -119.66 146.54 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.971 0.415 . . . . 0.0 111.74 -179.307 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.785 HG23 ' HB3' ' A' ' 7' ' ' GLN . 89.7 m -138.71 110.82 7.31 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.054 177.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.822 ' CD2' HD13 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -90.24 116.09 27.96 Favored 'General case' 0 N--CA 1.444 -0.725 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 177.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.2 t -105.43 159.55 15.83 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.034 0.445 . . . . 0.0 111.223 -178.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.41 ' HB2' ' O ' ' A' ' 3' ' ' ILE . 1.3 t -74.6 1.99 10.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.224 179.684 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 35.4 p30 -90.27 26.01 2.04 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-O 120.836 0.35 . . . . 0.0 111.245 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 53.73 40.6 64.24 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.609 -0.805 . . . . 0.0 111.819 -179.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.541 ' N ' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -137.95 126.14 23.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.974 0.416 . . . . 0.0 111.572 -179.449 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.899 HD23 HG21 ' A' ' 94' ' ' ILE . 3.5 tp -104.31 116.98 33.11 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.636 179.261 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.783 HD23 ' CG ' ' A' ' 52' ' ' GLU . 0.4 OUTLIER -114.2 147.46 38.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.976 0.417 . . . . 0.0 111.843 -179.055 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.453 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.3 OUTLIER -154.94 125.09 6.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.37 179.022 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.475 ' HB3' ' CB ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -115.3 162.02 26.71 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.748 -179.401 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.422 ' HD2' ' HB3' ' A' ' 38' ' ' HIS . 79.8 Cg_exo -48.12 -48.3 16.97 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.71 2.273 . . . . 0.0 112.751 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.0 m -154.15 -171.11 3.76 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.805 0.336 . . . . 0.0 111.171 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.679 HG22 HD12 ' A' ' 45' ' ' ILE . 3.3 mp -64.02 -43.0 97.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.011 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.513 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 3.4 m-20 -51.87 -26.91 11.12 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.367 0.603 . . . . 0.0 110.134 179.267 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.74 ' HA ' HG23 ' A' ' 48' ' ' THR . 4.1 m-20 -76.84 -40.89 46.26 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.795 179.569 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.496 ' CG ' ' CE1' ' A' ' 26' ' ' TYR . 0.3 OUTLIER -71.12 -51.24 26.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.244 0.545 . . . . 0.0 110.036 179.41 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.679 HD12 HG22 ' A' ' 41' ' ' ILE . 24.4 mt -56.28 -61.94 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.022 179.587 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.513 ' CD2' ' O ' ' A' ' 42' ' ' ASN . 15.6 m-70 -73.51 -24.86 60.21 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.856 -1.065 . . . . 0.0 111.776 -178.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.8 m 74.73 71.77 0.1 Allowed 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 178.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.74 HG23 ' HA ' ' A' ' 43' ' ' ASP . 30.7 p -87.01 -153.53 0.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.758 178.716 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -39.21 -56.35 1.52 Allowed 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.978 0.418 . . . . 0.0 111.283 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.462 ' HA2' ' CD2' ' A' ' 38' ' ' HIS . . . 57.8 98.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 121.035 -0.602 . . . . 0.0 112.824 179.391 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.428 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . 1.7 mmtm -74.78 138.62 42.77 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.743 0.306 . . . . 0.0 110.783 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.783 ' CG ' HD23 ' A' ' 36' ' ' LEU . 3.9 mt-10 -132.83 133.13 42.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.016 0.436 . . . . 0.0 110.656 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.572 ' CE ' ' CG ' ' A' ' 102' ' ' TRP . 0.4 OUTLIER -119.04 121.04 38.96 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.398 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -57.0 131.13 48.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.564 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.847 HD13 ' CB ' ' A' ' 122' ' ' GLN . 24.7 mt -95.57 22.8 6.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.548 -179.619 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.08 -57.32 3.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.828 0.347 . . . . 0.0 110.729 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.81 59.1 0.88 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.532 179.685 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.58 HG22 ' O ' ' A' ' 95' ' ' VAL . 0.3 OUTLIER -113.82 161.97 16.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.42 -179.526 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -129.33 152.29 49.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.01 179.475 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.406 ' HA ' ' O ' ' A' ' 93' ' ' LEU . 14.9 p -131.5 128.76 61.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.756 0.312 . . . . 0.0 111.058 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.86 158.44 38.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.496 -179.642 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.406 ' HB ' ' HD2' ' A' ' 63' ' ' PRO . 26.0 m -99.81 155.33 36.59 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.076 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.406 ' HD2' ' HB ' ' A' ' 62' ' ' VAL . 47.0 Cg_endo -68.49 -164.76 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.382 2.054 . . . . 0.0 111.785 179.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -93.12 18.29 56.48 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.795 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.0 172.02 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.773 0.321 . . . . 0.0 111.188 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.402 ' CB ' ' HD2' ' A' ' 67' ' ' PRO . 1.3 mpt_? -60.98 166.69 4.41 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.502 179.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.402 ' HD2' ' CB ' ' A' ' 66' ' ' ARG . 23.8 Cg_endo -61.83 118.48 5.36 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.349 2.033 . . . . 0.0 112.121 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -88.68 44.99 0.89 Allowed 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 122.839 2.36 . . . . 0.0 112.631 -179.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.39 83.66 7.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.909 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.54 -31.69 72.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.041 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 36.5 mm -64.63 -32.46 57.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.033 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.12 55.68 2.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.953 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.67 17.6 10.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.752 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -59.98 86.7 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.913 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -141.72 150.35 21.88 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.465 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.56 131.25 19.74 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.561 2.174 . . . . 0.0 112.357 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.3 p -175.56 67.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -89.09 -32.09 17.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.068 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.3 m -157.4 84.63 0.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 137.57 169.79 11.72 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.636 -0.793 . . . . 0.0 112.462 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 63.4 p -135.37 163.43 30.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.854 0.359 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -140.49 136.16 32.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.021 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -91.43 59.33 3.01 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.479 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -82.06 -78.08 0.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.84 0.352 . . . . 0.0 110.854 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -132.35 153.51 50.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.133 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -94.62 84.16 4.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -58.3 -24.18 58.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.122 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.445 ' HA ' ' CE2' ' A' ' 109' ' ' PHE . 2.0 mp0 -82.49 56.99 3.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.106 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -115.18 103.48 10.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.579 ' N ' ' CD1' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -128.4 112.9 14.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.017 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -141.53 132.76 26.44 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.532 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.615 ' CE1' HD11 ' A' ' 94' ' ' ILE . 20.3 p90 -122.47 156.02 34.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.816 0.341 . . . . 0.0 111.269 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.406 ' O ' ' HA ' ' A' ' 60' ' ' VAL . 0.6 OUTLIER -119.04 149.54 41.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.298 -179.593 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.899 HG21 HD23 ' A' ' 35' ' ' LEU . 8.0 mm -122.45 108.72 22.29 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.194 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.227 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.941 HG22 HG23 ' A' ' 101' ' ' THR . 58.2 t -102.54 132.71 48.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.107 0.48 . . . . 0.0 112.215 -179.143 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.501 ' HA ' HG22 ' A' ' 58' ' ' THR . 44.2 t -94.21 -174.1 3.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.235 179.029 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 56.0 p -85.83 -11.04 54.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.355 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.0 t -105.33 23.39 13.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.909 0.385 . . . . 0.0 111.171 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 83.99 -21.17 10.2 Favored Glycine 0 CA--C 1.52 0.388 0 C-N-CA 120.742 -0.742 . . . . 0.0 113.401 179.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.31 128.72 23.11 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 117.001 0.401 . . . . 0.0 110.836 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.941 HG23 HG22 ' A' ' 95' ' ' VAL . 1.8 m -130.36 114.81 16.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.95 0.405 . . . . 0.0 111.79 -179.675 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.665 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 35.4 m0 -95.34 105.56 17.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.222 178.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.532 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.7 OUTLIER -96.78 116.17 28.69 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.491 179.169 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.8 ' HB3' HD23 ' A' ' 10' ' ' LEU . 19.4 m-85 -122.59 161.01 24.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.249 0.547 . . . . 0.0 111.739 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.459 ' HB2' ' CE3' ' A' ' 22' ' ' TRP . 0.1 OUTLIER -123.34 106.08 10.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.704 178.792 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.503 ' HB3' ' HB2' ' A' ' 112' ' ' ARG . . . -53.41 123.45 12.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.682 -179.195 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.26 -32.68 74.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.501 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.74 137.48 52.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.448 179.538 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.554 ' CE1' ' CD1' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -52.56 -47.8 66.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.257 -179.571 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.11 -36.96 85.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.031 0.444 . . . . 0.0 110.707 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.08 -36.69 77.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.03 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.503 ' HB2' ' HB3' ' A' ' 106' ' ' ALA . 2.9 tmm_? -56.86 -48.29 78.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.017 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.495 ' O ' HG12 ' A' ' 116' ' ' VAL . 4.6 m-20 -70.39 -27.56 64.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.905 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -70.97 -48.7 51.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.041 0.448 . . . . 0.0 109.803 179.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.738 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 60.1 m95 -62.25 -48.79 78.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.652 178.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.495 HG12 ' O ' ' A' ' 113' ' ' ASP . 3.3 p -57.2 -35.75 49.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 121.02 0.438 . . . . 0.0 110.017 179.391 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -79.48 -32.0 42.48 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.057 179.156 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.453 ' HB2' HG22 ' A' ' 5' ' ' ILE . . . -65.09 -50.66 65.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.319 179.335 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.668 HG13 HD21 ' A' ' 29' ' ' LEU . 2.7 mp -62.69 -48.37 88.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.205 179.28 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.489 ' HA ' HD12 ' A' ' 123' ' ' ILE . 5.7 mm-40 -65.04 -32.76 74.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.914 0.387 . . . . 0.0 110.261 179.312 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.9 m -66.47 -44.64 82.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.623 179.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.847 ' CB ' HD13 ' A' ' 55' ' ' LEU . 3.0 mp0 -65.05 -33.76 76.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.381 179.641 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.489 HD12 ' HA ' ' A' ' 120' ' ' GLU . 23.9 mt -73.95 -37.94 48.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.695 179.558 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 6.0 tp -68.73 -35.21 76.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.709 179.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -74.23 -35.29 63.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.923 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 27.4 m -71.41 -30.01 65.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.836 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 31.7 mt -66.6 -47.65 72.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.927 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 24.4 pt20 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.942 179.964 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.766 0.317 . . . . 0.0 111.201 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.442 ' O ' HD13 ' A' ' 3' ' ' ILE . . . -120.49 171.66 8.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.207 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.442 HD13 ' O ' ' A' ' 2' ' ' ALA . 20.2 mm -130.42 137.34 30.62 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.811 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo -55.46 126.59 23.0 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.279 1.986 . . . . 0.0 112.37 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.423 ' CG2' ' HB1' ' A' ' 118' ' ' ALA . 36.4 mm -94.61 -20.1 6.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.329 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.611 ' O ' ' CH2' ' A' ' 115' ' ' TRP . 2.3 tptt 178.37 110.74 0.03 OUTLIER 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 179.011 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.75 ' HB2' HG23 ' A' ' 28' ' ' THR . 0.5 OUTLIER -129.44 111.15 12.5 Favored 'General case' 0 C--N 1.313 -1.002 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.364 179.585 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.9 t -164.32 -175.18 3.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.276 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.556 ' CE1' HD11 ' A' ' 41' ' ' ILE . 3.8 m-85 -87.16 129.45 34.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.012 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.775 HD23 ' HB3' ' A' ' 104' ' ' PHE . 6.6 mp -120.77 157.92 28.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.572 179.419 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.452 HD23 ' HB2' ' A' ' 22' ' ' TRP . 1.4 tp -95.41 137.01 35.06 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 179.149 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.404 ' CE ' ' O ' ' A' ' 103' ' ' HIS . 0.2 OUTLIER -127.75 117.22 21.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.846 0.355 . . . . 0.0 111.35 -179.514 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.8 ptt180 -59.48 148.08 34.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.858 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 46.7 t -79.65 -65.98 0.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.921 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 159.42 58.97 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.5 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -136.86 104.53 5.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.897 0.379 . . . . 0.0 110.795 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.1 p -64.82 -43.73 92.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.028 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.4 tp -58.92 -36.57 74.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.944 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -154.15 107.18 2.88 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.91 165.62 0.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.198 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -164.78 97.91 0.76 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.8 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.533 ' HH2' ' CE1' ' A' ' 103' ' ' HIS . 2.3 m95 -98.0 141.83 30.47 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.318 -178.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.48 160.35 20.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.379 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.5 mmtp -63.03 120.13 10.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.772 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.425 ' HD2' ' HA ' ' A' ' 39' ' ' PRO . 2.7 tptt -120.14 175.87 5.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.072 -179.76 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.502 ' CE1' ' CG ' ' A' ' 44' ' ' TYR . 50.7 t80 -135.97 115.3 12.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.333 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.633 HG21 HD22 ' A' ' 10' ' ' LEU . 1.6 t -123.84 147.25 28.31 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.324 0 CA-C-O 121.008 0.432 . . . . 0.0 112.142 -179.14 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.75 HG23 ' HB2' ' A' ' 7' ' ' GLN . 87.0 m -138.76 110.54 7.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.974 177.574 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.797 HD12 ' OE1' ' A' ' 122' ' ' GLN . 0.2 OUTLIER -89.37 115.68 27.01 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 178.123 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.2 t -104.98 157.97 16.86 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.931 0.396 . . . . 0.0 111.021 -178.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.4 ' HB2' ' O ' ' A' ' 3' ' ' ILE . 1.5 t -73.74 1.1 11.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.302 179.664 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -88.85 26.21 1.59 Allowed 'General case' 0 CA--C 1.523 -0.094 0 CA-C-O 120.83 0.347 . . . . 0.0 111.427 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 52.81 39.28 55.36 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.591 -0.814 . . . . 0.0 111.686 -179.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.424 ' CA ' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -137.08 123.51 20.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.957 0.408 . . . . 0.0 111.263 -179.484 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.969 HD23 HG21 ' A' ' 94' ' ' ILE . 2.8 tp -102.46 117.01 33.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.721 179.157 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.889 HD23 ' HG2' ' A' ' 52' ' ' GLU . 0.4 OUTLIER -112.45 144.9 41.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.96 0.41 . . . . 0.0 111.615 -179.062 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.451 ' CE1' ' CB ' ' A' ' 51' ' ' LYS . 0.2 OUTLIER -153.49 131.81 12.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.451 179.389 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.489 ' CD2' ' HA2' ' A' ' 50' ' ' GLY . 0.2 OUTLIER -120.9 160.02 46.54 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.821 -179.3 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.425 ' HA ' ' HD2' ' A' ' 25' ' ' LYS . 73.0 Cg_exo -49.47 -30.11 20.11 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.729 2.286 . . . . 0.0 112.693 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -176.55 -174.66 0.59 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.815 0.34 . . . . 0.0 111.104 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.781 HG22 HD12 ' A' ' 45' ' ' ILE . 3.8 mp -59.16 -47.74 89.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.492 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 5.0 m-20 -51.78 -28.27 14.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.384 0.611 . . . . 0.0 110.197 179.305 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.424 ' HB2' ' CB ' ' A' ' 38' ' ' HIS . 3.7 m-20 -76.93 -40.31 47.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.751 179.59 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.502 ' CG ' ' CE1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -70.06 -51.26 33.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.18 0.514 . . . . 0.0 110.185 179.503 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.781 HD12 HG22 ' A' ' 41' ' ' ILE . 23.0 mt -58.74 -62.35 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.426 -0.807 . . . . 0.0 111.089 179.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.492 ' CD2' ' O ' ' A' ' 42' ' ' ASN . 14.5 m-70 -73.37 -24.58 60.34 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.827 -1.079 . . . . 0.0 112.29 -178.534 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 m 76.83 74.09 0.07 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.917 0.389 . . . . 0.0 111.188 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 43.2 p -120.69 118.83 31.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.925 179.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 77.87 -60.14 0.43 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.519 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.489 ' HA2' ' CD2' ' A' ' 38' ' ' HIS . . . 45.46 89.19 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.235 0 CA-C-N 115.644 -0.707 . . . . 0.0 113.112 179.66 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.451 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -87.12 131.11 34.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.868 0.366 . . . . 0.0 110.827 179.86 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.889 ' HG2' HD23 ' A' ' 36' ' ' LEU . 11.3 mt-10 -130.19 133.22 46.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.102 0.477 . . . . 0.0 110.926 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.531 ' CE ' ' CG ' ' A' ' 102' ' ' TRP . 0.4 OUTLIER -115.87 119.76 37.01 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.272 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -60.03 124.78 21.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.457 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.476 ' O ' ' HA ' ' A' ' 123' ' ' ILE . 0.8 OUTLIER -92.32 41.82 1.08 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.473 -179.556 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.4 tp -83.31 -61.61 1.8 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.787 0.327 . . . . 0.0 110.83 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 70.8 mtt180 -125.14 36.34 4.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.694 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.601 HG22 ' O ' ' A' ' 95' ' ' VAL . 0.7 OUTLIER -75.53 161.44 29.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.83 -179.915 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -130.09 151.64 50.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.502 179.73 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 5.2 m -119.74 127.06 75.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.672 ' HE3' HG21 ' A' ' 95' ' ' VAL . 0.5 OUTLIER -147.07 164.25 33.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.864 0.364 . . . . 0.0 111.393 -179.775 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.5 m -115.75 155.15 47.93 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.988 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_endo -56.35 -163.82 0.02 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.284 0 C-N-CA 122.588 2.192 . . . . 0.0 112.031 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -94.73 61.15 1.71 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.48 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.11 171.28 9.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.891 0.376 . . . . 0.0 110.898 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.4 161.98 29.45 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.029 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.41 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 57.0 Cg_endo -71.02 118.73 5.85 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.564 2.176 . . . . 0.0 112.281 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.443 ' HB3' ' CE1' ' A' ' 90' ' ' PHE . 34.1 Cg_exo -59.85 102.7 0.18 Allowed 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.583 2.188 . . . . 0.0 112.282 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -79.12 100.87 7.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.07 -56.09 25.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.211 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.7 mt -74.69 -39.18 46.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.134 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.5 m 58.06 43.72 20.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.943 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.73 17.65 10.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.723 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -139.55 -170.58 2.95 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.841 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 62.57 104.01 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.488 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -67.66 129.7 20.51 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.453 2.102 . . . . 0.0 112.311 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 35.2 m -151.79 139.6 19.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.95 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.11 -32.43 73.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.178 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 10.8 t -172.21 80.86 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 67.64 -118.35 9.77 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.506 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -129.63 165.74 21.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.761 0.315 . . . . 0.0 110.851 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.86 -173.79 0.39 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.108 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -108.7 36.14 4.53 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.472 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -110.42 -33.97 6.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.765 0.317 . . . . 0.0 110.826 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -153.29 137.22 16.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.142 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.03 102.34 10.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.886 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.64 -23.96 64.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.196 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.432 ' HB3' ' CZ ' ' A' ' 109' ' ' PHE . 29.7 mp0 -91.8 24.9 2.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.484 -179.685 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -70.98 109.38 5.05 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.79 0.329 . . . . 0.0 110.515 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.49 ' CZ ' ' CD2' ' A' ' 109' ' ' PHE . 4.1 m-30 -93.65 104.11 16.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.202 -179.379 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -139.86 129.89 24.94 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.708 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.599 ' CE1' HD11 ' A' ' 94' ' ' ILE . 36.1 p90 -122.95 156.82 33.95 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.858 0.361 . . . . 0.0 110.862 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.401 ' HG ' ' CG ' ' A' ' 103' ' ' HIS . 0.5 OUTLIER -119.18 142.79 47.66 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.353 -179.471 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.969 HG21 HD23 ' A' ' 35' ' ' LEU . 12.6 mm -113.82 108.66 26.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.323 179.675 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.672 HG21 ' HE3' ' A' ' 61' ' ' LYS . 99.3 t -99.84 130.11 49.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.989 0.423 . . . . 0.0 111.727 -179.528 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.594 ' HA ' HG22 ' A' ' 58' ' ' THR . 0.3 OUTLIER -93.21 -174.2 3.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.24 179.273 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.7 t -83.95 -18.54 36.94 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.33 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.4 t -100.71 23.6 10.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.866 0.365 . . . . 0.0 111.133 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 84.68 -21.85 10.25 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 120.635 -0.793 . . . . 0.0 113.236 179.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -48.05 125.53 9.26 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.941 0.371 . . . . 0.0 110.859 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.617 HG23 HG22 ' A' ' 95' ' ' VAL . 3.0 m -127.52 114.76 17.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.961 0.41 . . . . 0.0 111.822 -179.406 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.652 ' CZ3' ' HG ' ' A' ' 35' ' ' LEU . 34.6 m0 -96.69 105.39 17.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.167 178.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.533 ' CE1' ' HH2' ' A' ' 22' ' ' TRP . 0.7 OUTLIER -94.98 116.31 28.53 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.517 179.421 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.775 ' HB3' HD23 ' A' ' 10' ' ' LEU . 19.3 m-85 -122.98 165.97 15.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.297 0.57 . . . . 0.0 111.742 -179.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.419 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 34.2 tt0 -132.95 101.1 5.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.864 179.137 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.695 ' HB3' ' HB2' ' A' ' 112' ' ' ARG . . . -50.38 126.61 15.46 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.695 -179.248 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.64 -30.66 70.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.703 179.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.42 154.39 33.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.699 179.734 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.49 ' CD2' ' CZ ' ' A' ' 90' ' ' PHE . 4.2 m-85 -65.23 -55.19 19.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.056 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.49 -32.79 70.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.742 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.87 -39.23 87.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.695 ' HB2' ' HB3' ' A' ' 106' ' ' ALA . 0.2 OUTLIER -56.57 -49.31 75.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.04 -179.73 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -63.34 -45.83 89.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.654 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 118' ' ' ALA . . . -54.11 -51.67 63.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.857 0.361 . . . . 0.0 110.27 179.426 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.712 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 53.0 m95 -56.82 -54.66 43.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.93 178.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 112' ' ' ARG . 95.9 t -55.08 -35.64 35.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.966 0.412 . . . . 0.0 110.315 179.609 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.23 -27.96 42.48 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.375 179.109 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.423 ' HB1' ' CG2' ' A' ' 5' ' ' ILE . . . -72.88 -38.26 67.03 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.423 179.498 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.673 HG12 HD12 ' A' ' 94' ' ' ILE . 1.9 mp -70.07 -49.02 59.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.212 179.42 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.765 ' HA ' HD12 ' A' ' 123' ' ' ILE . 0.0 OUTLIER -66.82 -32.58 73.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.682 -0.236 . . . . 0.0 110.701 179.458 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 83.4 p -69.93 -38.83 76.32 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-O 120.882 0.372 . . . . 0.0 110.154 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.797 ' OE1' HD12 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -65.83 -33.11 75.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.059 0.457 . . . . 0.0 109.912 179.075 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.765 HD12 ' HA ' ' A' ' 120' ' ' GLU . 18.3 mt -72.25 -37.83 60.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.059 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.2 tp -68.38 -34.53 76.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.38 -35.14 58.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.071 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.1 t -78.27 -30.78 48.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.514 HD12 HG22 ' A' ' 123' ' ' ILE . 5.4 mt -71.16 -46.5 61.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.896 179.953 . . . . . . . . 0 0 . 1 stop_ save_