data_2cr2_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 2cr2 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.867 0.365 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 78.8 t -89.68 108.45 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.94 155.82 29.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -158.18 140.01 13.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 138' ' ' PHE . 81.3 p -108.31 151.14 26.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.807 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.447 ' CB ' ' CD2' ' A' ' 37' ' ' PHE . 9.7 t80 -141.36 117.03 10.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.937 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 30.9 ttm -84.74 122.25 28.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.564 ' CZ2' HD12 ' A' ' 18' ' ' ILE . 10.1 t90 -117.89 102.92 9.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 38.6 m -95.92 109.94 22.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.101 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.564 HD12 ' CZ2' ' A' ' 16' ' ' TRP . 33.9 mt -90.62 98.85 8.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.64 128.3 35.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 73.14 49.54 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.923 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -62.38 -29.41 70.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.5 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 -179.826 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.878 0.371 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.456 HG12 ' NE ' ' A' ' 50' ' ' ARG . 9.5 p -134.09 151.12 31.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.144 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 46.2 mt -104.41 112.02 36.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.166 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 38.6 mttt -96.42 126.18 41.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 84.5 p -90.47 163.2 14.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.0 m -51.61 173.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.807 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 48.6 p -90.46 130.85 36.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.155 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.447 ' CD2' ' CB ' ' A' ' 14' ' ' TYR . 2.5 p90 -123.04 145.4 48.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.5 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.79 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.864 0.364 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.1 tp -80.39 109.98 15.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.467 ' CB ' HG11 ' A' ' 71' ' ' VAL . 43.7 mmtt -108.61 167.54 9.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 55.9 m95 -145.1 153.89 41.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.3 p -142.9 156.75 44.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 80.0 mt -116.98 133.87 55.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.456 ' NE ' HG12 ' A' ' 31' ' ' VAL . 30.3 mtp180 -111.77 102.84 11.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 47.2 t -104.26 146.01 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -129.98 106.21 16.63 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.656 0.741 . . . . 0.0 110.862 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -49.47 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.672 2.248 . . . . 0.0 112.335 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.6 mttt -83.34 22.31 1.04 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.05 175.6 11.59 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.496 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.8 tp -113.23 -41.35 3.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.794 0.331 . . . . 0.0 110.882 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -123.49 174.32 7.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -74.5 -13.31 60.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -82.48 -36.62 26.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 75.5 p -118.32 31.54 6.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.902 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -67.92 -28.79 67.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -77.39 -39.46 47.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.57 ' CD2' ' HG2' ' A' ' 118' ' ' ARG . 3.6 m-85 -92.71 173.41 7.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.2 tp -89.7 145.45 25.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 m -116.3 99.23 7.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.547 ' CD2' ' N ' ' A' ' 67' ' ' TYR . 5.8 tt -107.98 148.24 29.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.547 ' N ' ' CD2' ' A' ' 66' ' ' LEU . 78.4 m-85 -154.78 143.81 20.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.957 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 34.7 tp -93.0 112.88 24.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.919 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.1 tp -104.14 140.71 37.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 71' ' ' VAL . 41.4 tp -89.23 84.0 6.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.467 HG11 ' CB ' ' A' ' 46' ' ' LYS . 0.4 OUTLIER -37.37 -64.29 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.832 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.2 t -147.1 149.92 34.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 25.6 p -142.24 144.7 32.41 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.606 0.717 . . . . 0.0 110.888 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -48.54 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.657 2.238 . . . . 0.0 112.341 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.3 pttt -93.79 165.56 12.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.6 m -46.32 -71.48 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -119.45 158.96 25.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -144.88 137.94 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.155 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.9 mtt180 -105.23 132.36 51.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -159.83 158.48 31.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 61.1 mttt -103.85 135.9 44.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 44.4 p90 -116.05 154.28 30.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.496 ' CG ' ' HB3' ' A' ' 98' ' ' GLU . 0.0 OUTLIER -148.09 120.2 8.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -99.97 140.87 33.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 92.4 p -153.12 156.0 37.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 34.5 mt -114.85 128.68 71.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.179 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 mt -95.01 108.37 20.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.489 ' OD1' ' N ' ' A' ' 90' ' ' LYS . 27.8 p30 -57.77 179.41 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -54.65 -25.31 26.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.052 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.489 ' N ' ' OD1' ' A' ' 88' ' ' ASN . 0.8 OUTLIER -94.27 19.4 9.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.951 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.44 28.73 56.05 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.493 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -102.76 142.36 34.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.814 0.34 . . . . 0.0 110.901 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -68.21 133.54 49.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.4 t -156.91 139.32 14.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.159 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.55 ' HE2' ' CE2' ' A' ' 121' ' ' PHE . 31.6 mmtm 59.47 43.92 15.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.88 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -95.75 147.49 23.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.096 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.524 ' HE3' ' CD2' ' A' ' 113' ' ' PHE . 20.6 mtm -120.76 111.9 18.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.827 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.496 ' HB3' ' CG ' ' A' ' 83' ' ' LYS . 3.0 pt-20 -120.23 148.38 43.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.1 t -131.86 141.9 49.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -91.39 45.08 1.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.957 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -146.35 137.88 24.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -100.73 137.52 39.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -108.3 163.78 12.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.914 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -82.38 119.46 24.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -108.61 136.11 48.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 109' ' ' LYS . 17.1 m -143.15 149.43 18.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.134 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -41.78 95.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 106' ' ' VAL . . . 108.55 18.64 9.4 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.492 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 106' ' ' VAL . 14.4 tptt -102.0 135.23 43.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.768 0.318 . . . . 0.0 110.863 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -121.74 125.16 45.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 88.5 m95 -137.1 132.92 34.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 178.83 -142.87 5.58 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.482 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.524 ' CD2' ' HE3' ' A' ' 97' ' ' MET . 20.1 m-85 -132.16 152.58 51.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.938 0.399 . . . . 0.0 110.887 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 19.9 tttt -78.98 -54.59 5.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -103.23 95.86 6.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -88.22 -49.67 6.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.496 HG13 ' N ' ' A' ' 118' ' ' ARG . 8.2 tp -159.29 153.21 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.138 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.57 ' HG2' ' CD2' ' A' ' 63' ' ' TYR . 18.2 mtt180 -74.83 117.03 16.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 22.3 ttp180 -51.48 -38.01 51.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -65.77 -23.11 66.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.554 ' CZ ' ' OD1' ' A' ' 127' ' ' ASN . 31.0 t80 -75.7 -42.94 49.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.471 HD12 ' CG2' ' A' ' 117' ' ' ILE . 5.8 mp -59.72 -56.34 23.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 9.1 mt -58.21 -18.92 29.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -59.92 142.44 53.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -82.17 -36.07 27.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.855 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -46.09 -43.04 14.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.12 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . 0.554 ' OD1' ' CZ ' ' A' ' 121' ' ' PHE . 51.0 m-80 -83.04 -41.6 18.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 70.8 29.17 69.66 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.465 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 45.8 mt -62.96 -22.67 66.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.872 0.368 . . . . 0.0 110.909 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.7 mt -134.21 85.26 39.58 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.595 0.712 . . . . 0.0 110.904 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -25.44 28.44 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.676 2.251 . . . . 0.0 112.341 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -133.39 26.71 4.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 66.36 32.07 7.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -113.8 120.02 39.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.479 HD11 ' CD1' ' A' ' 137' ' ' LEU . 3.5 tm? -93.16 101.55 13.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 85.0 m -93.74 103.98 16.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.123 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.479 ' CD1' HD11 ' A' ' 135' ' ' LEU . 5.7 mt -101.33 110.41 22.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 13' ' ' SER . 29.1 t80 -91.37 105.74 17.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.857 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 51.7 t -103.28 149.83 24.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -135.14 117.99 16.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 20.7 t -110.6 135.33 50.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.136 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 10.7 m -126.01 108.37 11.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.83 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 91.4 t -84.72 124.38 39.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.125 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 29.8 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.909 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.902 0.382 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 99.5 t -87.63 110.19 20.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.02 157.34 27.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 11.2 p90 -153.39 143.56 22.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.446 ' HB2' ' CE1' ' A' ' 138' ' ' PHE . 80.7 p -107.59 126.91 53.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.831 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -120.29 116.87 26.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 30.3 ttm -93.88 122.23 36.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.879 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.539 ' CE2' ' CG1' ' A' ' 18' ' ' ILE . 8.7 t90 -118.44 100.4 7.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.948 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 85.3 m -91.64 108.93 20.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.183 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.539 ' CG1' ' CE2' ' A' ' 16' ' ' TRP . 38.5 mt -88.68 103.98 14.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.146 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.452 ' C ' ' CG ' ' A' ' 20' ' ' ASN . 0.5 OUTLIER -66.13 147.53 53.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.452 ' CG ' ' C ' ' A' ' 19' ' ' ASN . 0.7 OUTLIER 48.58 47.42 20.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.935 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -61.06 -16.36 42.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.849 -179.828 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.925 0.393 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.5 p -137.13 151.19 26.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.158 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 55.3 mt -101.2 107.1 20.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.6 mttt -91.18 130.77 37.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 89.9 p -93.27 176.31 6.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 m -63.5 177.68 0.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 31.1 p -97.23 120.89 38.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.167 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 12.8 p90 -119.61 139.13 52.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 65.3 p . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.806 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.827 0.346 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.4 tp -82.66 123.96 29.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.945 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.411 ' CB ' HG11 ' A' ' 71' ' ' VAL . 40.1 mmtm -118.56 167.96 11.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 62.2 m95 -147.9 151.39 35.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.926 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.444 ' SG ' ' N ' ' A' ' 49' ' ' LEU . 29.0 t -138.32 161.69 36.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.444 ' N ' ' SG ' ' A' ' 48' ' ' CYS . 22.8 mt -118.78 128.45 54.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -107.14 105.7 15.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.813 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.2 t -104.41 138.96 26.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.057 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.404 ' OD1' ' N ' ' A' ' 52' ' ' ASN . 0.4 OUTLIER -130.85 102.23 16.36 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.602 0.715 . . . . 0.0 110.857 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -46.04 1.36 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.683 2.256 . . . . 0.0 112.333 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.7 mtpt -81.46 -14.19 57.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.874 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.35 177.8 51.98 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.459 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -76.11 -47.1 25.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.817 0.341 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -143.98 177.62 8.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.839 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -51.3 -22.49 2.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -61.8 -57.17 12.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.938 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 81.8 p -98.73 40.94 1.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.809 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -84.82 -34.32 22.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -70.57 -47.03 62.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.823 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.432 ' CD2' ' CG ' ' A' ' 115' ' ' LYS . 2.6 m-85 -97.53 162.77 13.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.448 HD23 ' N ' ' A' ' 65' ' ' SER . 9.8 tt -89.22 154.88 19.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.915 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.448 ' N ' HD23 ' A' ' 64' ' ' LEU . 1.0 OUTLIER -119.55 122.94 42.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.0 tp -131.17 125.38 32.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.595 ' HH ' ' N ' ' A' ' 114' ' ' LYS . 61.7 m-85 -133.4 143.75 49.1 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 17.5 tp -93.68 105.38 17.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.929 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.5 tp -94.98 145.89 24.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 12.6 tp -95.01 84.87 4.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.411 HG11 ' CB ' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -38.96 -63.65 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 179.822 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 43.0 t -147.01 144.54 29.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 28.2 p -137.01 143.81 43.8 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.613 0.72 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -46.82 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.666 2.244 . . . . 0.0 112.375 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.1 pttm -97.07 157.1 16.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.1 m -40.81 -69.77 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.816 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -118.02 159.2 23.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -147.28 141.25 19.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.132 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.4 mtp-105 -110.57 131.95 54.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -159.34 158.39 32.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.066 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 56.5 mttt -102.96 135.36 44.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -121.31 148.08 44.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.415 ' HD2' ' C ' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -138.56 127.82 24.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -106.71 142.8 35.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.847 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.451 ' HB3' ' CB ' ' A' ' 96' ' ' ALA . 23.5 p -157.03 163.37 39.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 26.3 mt -123.22 136.46 59.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.14 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.1 mt -98.62 109.47 22.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.405 ' OD1' ' N ' ' A' ' 90' ' ' LYS . 41.1 p30 -60.26 -176.6 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.941 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.71 -29.27 59.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.075 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.405 ' N ' ' OD1' ' A' ' 88' ' ' ASN . 1.3 mppt? -88.9 16.49 6.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 55.78 30.06 55.86 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.453 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -105.94 134.75 48.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.817 0.341 . . . . 0.0 110.903 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -54.83 132.73 46.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.7 t -153.52 149.43 27.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.163 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.516 ' HE2' ' CE1' ' A' ' 121' ' ' PHE . 34.0 mmtm 50.39 52.72 14.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.451 ' CB ' ' HB3' ' A' ' 85' ' ' SER . . . -103.9 152.74 21.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.088 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 19.6 mtm -126.71 120.1 28.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -93.88 157.65 16.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 28.5 t -100.63 157.99 16.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.432 ' NE2' ' HB3' ' A' ' 101' ' ' ARG . 3.4 pp0? -87.95 -38.01 15.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.941 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.432 ' HB3' ' NE2' ' A' ' 100' ' ' GLN . 37.7 ttt180 -153.73 164.01 39.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.9 160.12 32.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -119.71 163.98 16.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.949 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 15.8 ttm180 -82.36 96.19 7.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -87.28 148.78 24.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 109' ' ' LYS . 13.8 m -153.58 145.66 14.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.121 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 106' ' ' VAL . 5.9 tt0 -37.69 97.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 106' ' ' VAL . . . 103.87 23.23 8.33 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.492 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 106' ' ' VAL . 19.7 tptt -103.27 144.48 31.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.828 0.347 . . . . 0.0 110.872 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -130.47 121.04 25.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 94.9 m95 -133.24 134.66 44.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 169.19 -159.43 32.4 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.46 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -117.77 137.83 52.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.894 0.378 . . . . 0.0 110.866 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.595 ' N ' ' HH ' ' A' ' 67' ' ' TYR . 3.1 ttmp? -66.1 -62.2 1.62 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.432 ' CG ' ' CD2' ' A' ' 63' ' ' TYR . 1.3 mptm? -87.01 91.44 8.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -78.86 -52.11 8.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.445 ' CD1' ' HG3' ' A' ' 95' ' ' LYS . 2.1 tt -170.96 146.68 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.114 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 25.1 mtt180 -54.64 119.51 5.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 14.3 ttt180 -53.83 -45.57 70.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -51.18 -41.1 59.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.525 ' CE1' ' ND2' ' A' ' 127' ' ' ASN . 12.8 t80 -52.52 -38.95 60.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.441 ' CD2' HD23 ' A' ' 135' ' ' LEU . 6.8 mp -64.85 -55.42 19.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.456 ' CD2' ' N ' ' A' ' 123' ' ' LEU . 1.9 mm? -70.04 -11.53 60.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -58.48 149.36 25.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -89.81 -33.85 16.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.41 -36.92 64.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . 0.525 ' ND2' ' CE1' ' A' ' 121' ' ' PHE . 13.8 m-20 -93.23 -44.54 8.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 69.24 44.19 67.22 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.524 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -64.6 -23.66 67.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.843 0.354 . . . . 0.0 110.94 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 1.7 mt -127.43 85.63 60.45 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.64 0.733 . . . . 0.0 110.876 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -22.71 31.7 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.675 2.25 . . . . 0.0 112.357 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -130.07 25.51 5.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 64.32 27.29 13.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -125.72 122.66 36.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.441 HD23 ' CD2' ' A' ' 122' ' ' LEU . 16.9 tp -88.44 114.18 24.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 95.2 m -96.18 95.22 7.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 7.4 mt -87.97 124.18 33.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . 0.446 ' CE1' ' HB2' ' A' ' 13' ' ' SER . 10.2 t80 -107.6 105.83 15.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 34.3 t -107.18 153.76 22.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -140.04 119.2 12.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 24.2 t -108.75 134.48 50.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.117 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.5 m -123.54 108.52 12.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 59.4 t -84.62 128.23 39.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.15 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 24.7 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.142 179.904 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 N--CA 1.458 -0.053 0 CA-C-O 120.906 0.384 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 68.6 t -88.55 100.82 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.127 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.53 155.48 26.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -153.68 140.8 19.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.463 ' HB2' ' CE1' ' A' ' 138' ' ' PHE . 97.0 p -109.8 130.14 55.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.832 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -123.85 121.86 36.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.933 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 38.5 ttm -92.7 119.63 32.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.924 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.549 ' CZ3' ' HB3' ' A' ' 34' ' ' SER . 10.0 t90 -115.26 109.28 17.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 85.4 m -102.97 125.67 49.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.116 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.538 HD12 ' CZ2' ' A' ' 16' ' ' TRP . 32.2 mt -107.73 100.66 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.575 ' H ' ' ND2' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -65.37 134.24 53.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 52.2 m-20 62.92 45.9 5.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.455 ' CZ ' ' HB3' ' A' ' 53' ' ' PRO . 69.7 t80 -47.38 -19.86 0.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.3 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 -179.79 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.857 0.36 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 12.3 p -126.2 162.1 30.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.091 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 17.0 mt -109.81 117.56 54.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -100.08 108.59 20.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.549 ' HB3' ' CZ3' ' A' ' 16' ' ' TRP . 28.9 p -71.8 152.1 42.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 61.4 m -44.88 170.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.859 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 37.9 p -86.2 129.32 34.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.141 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -118.71 139.57 51.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.8 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.785 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 49.6 mmtt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.828 0.346 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 32.4 tp -72.83 120.18 18.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 48.0 mmtt -116.03 160.57 20.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 70.4 m95 -139.3 153.78 47.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 21.9 p -143.25 144.09 32.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.859 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 77.1 mt -100.62 136.38 40.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 -107.87 102.66 11.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.853 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.426 HG11 ' N ' ' A' ' 52' ' ' ASN . 88.2 t -104.28 140.33 22.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.426 ' N ' HG11 ' A' ' 51' ' ' VAL . 39.5 m-80 -133.37 102.03 13.09 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.629 0.728 . . . . 0.0 110.881 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.478 ' HA ' ' CD2' ' A' ' 64' ' ' LEU . 53.8 Cg_endo -69.79 -32.87 17.61 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.707 2.271 . . . . 0.0 112.302 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.1 tttp -89.97 -14.37 34.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 86.27 162.09 36.38 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.486 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 31.2 mt -81.23 -54.95 5.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.85 0.357 . . . . 0.0 110.929 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -129.25 177.87 6.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -59.39 -12.91 6.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -74.15 -45.24 49.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 89.2 p -120.02 43.43 2.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.834 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.3 ptmm? -87.18 -33.51 19.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -82.15 -29.24 31.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.471 ' CE1' ' HG2' ' A' ' 118' ' ' ARG . 21.1 m-85 -97.67 166.84 11.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.969 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.478 ' CD2' ' HA ' ' A' ' 53' ' ' PRO . 3.1 tm? -92.94 122.86 35.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.3 t -100.47 123.88 45.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.3 tt -135.18 113.69 11.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -114.6 168.19 10.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.503 HD23 ' CZ ' ' A' ' 105' ' ' PHE . 49.3 tp -110.09 100.13 9.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.901 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.5 tp -90.29 141.29 28.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 55.4 tp -93.91 87.6 5.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -42.83 -63.25 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.097 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.3 m -146.41 147.7 31.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.823 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 28.8 p -137.8 143.05 38.62 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.606 0.717 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -43.51 2.59 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.684 2.256 . . . . 0.0 112.315 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.9 pttm -101.49 162.11 13.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.921 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 72.1 m -41.41 -64.15 0.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -130.03 153.2 48.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.7 p -139.97 136.42 38.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.167 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 23.0 mtt-85 -104.18 133.94 48.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -160.64 160.09 31.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.09 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 34.8 mttm -103.09 155.55 18.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.551 ' CZ ' ' HA2' ' A' ' 112' ' ' GLY . 23.9 p90 -139.53 155.63 47.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.824 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.8 tmmm? -147.99 116.75 6.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -97.95 138.19 35.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 77.4 p -149.27 162.32 40.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.83 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.471 ' CD1' HG23 ' A' ' 117' ' ' ILE . 30.8 mt -120.93 133.28 68.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.101 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.0 mt -96.86 106.01 18.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.585 ' ND2' ' H ' ' A' ' 92' ' ' GLU . 0.4 OUTLIER -57.66 -174.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.2 -31.39 61.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.88 9.53 9.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 62.58 20.85 61.98 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.585 ' H ' ' ND2' ' A' ' 88' ' ' ASN . 5.4 mm-40 -101.69 142.71 32.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.785 0.326 . . . . 0.0 110.908 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -58.57 137.88 57.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.1 t -157.44 136.11 11.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 47.0 mmtt 61.88 46.55 6.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -91.95 168.49 11.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.636 ' CE ' ' CG ' ' A' ' 113' ' ' PHE . 12.1 mtm -140.87 117.68 11.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -88.72 161.7 16.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 30.3 t -109.08 137.52 46.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.833 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -67.74 -63.19 1.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.923 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 13.2 ttp180 -130.52 160.22 34.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.25 168.85 14.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.089 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -130.12 173.74 10.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.934 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 -86.72 97.6 10.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.569 ' CE1' ' HB2' ' A' ' 111' ' ' TRP . 38.7 m-85 -91.35 118.17 30.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.467 ' CG2' ' HB2' ' A' ' 109' ' ' LYS . 15.1 m -127.65 166.6 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.133 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -51.95 118.1 3.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 80.5 20.8 65.65 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.497 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.467 ' HB2' ' CG2' ' A' ' 106' ' ' VAL . 22.7 tptt -102.14 163.57 12.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.792 0.329 . . . . 0.0 110.919 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.427 ' OD1' ' C ' ' A' ' 68' ' ' LEU . 6.6 t0 -148.46 136.12 20.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.569 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 96.9 m95 -150.81 124.57 9.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.551 ' HA2' ' CZ ' ' A' ' 82' ' ' PHE . . . -176.7 -127.69 1.06 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.636 ' CG ' ' CE ' ' A' ' 97' ' ' MET . 66.5 m-85 -132.07 146.45 52.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.923 0.392 . . . . 0.0 110.914 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 8.7 tttp -76.52 -59.58 2.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -103.33 102.62 12.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -78.88 -54.16 6.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.471 HG23 ' CD1' ' A' ' 86' ' ' ILE . 2.1 tt -168.76 145.25 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.094 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.471 ' HG2' ' CE1' ' A' ' 63' ' ' TYR . 15.4 mtt180 -49.87 118.97 3.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 17.0 ttp180 -52.54 -42.49 64.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -53.67 -42.75 68.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.593 ' CZ ' ' OD1' ' A' ' 127' ' ' ASN . 13.7 t80 -53.19 -42.65 66.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 7.8 mp -59.52 -62.41 1.9 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.928 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.5 mt -59.41 -30.37 68.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -49.52 150.52 1.91 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -93.81 -35.41 12.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -42.79 -43.19 3.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . 0.593 ' OD1' ' CZ ' ' A' ' 121' ' ' PHE . 8.1 m-20 -84.25 -40.58 17.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 69.66 38.55 77.82 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.466 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 50.3 mt -70.37 -24.09 62.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.81 0.338 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.6 mt -126.0 82.93 64.01 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.611 0.72 . . . . 0.0 110.905 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -35.12 13.18 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.692 2.261 . . . . 0.0 112.309 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -112.2 25.06 11.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 61.04 35.87 18.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt -133.9 130.16 37.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.88 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 46.4 tp -93.68 112.56 24.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 76.1 m -92.5 95.53 9.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 17.9 mt -88.78 116.81 27.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.914 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . 0.463 ' CE1' ' HB2' ' A' ' 13' ' ' SER . 8.3 t80 -103.46 111.25 23.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 16.6 t -113.7 147.7 37.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.845 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -133.3 114.99 14.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.859 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 48.2 t -103.61 139.17 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 19.9 m -131.99 107.65 8.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 64.6 t -84.14 130.64 35.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.111 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 25.6 m . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.14 179.945 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.839 0.352 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 84.0 t -97.44 107.25 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.172 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.25 156.06 28.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 12.8 p90 -141.28 146.18 36.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 89.6 p -114.19 125.99 54.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -118.07 115.31 24.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 36.6 ttm -88.14 114.33 24.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.559 ' CZ3' HG23 ' A' ' 51' ' ' VAL . 7.5 t90 -108.04 99.7 9.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 41.2 m -97.35 120.29 37.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.134 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.415 ' CG1' ' NE1' ' A' ' 16' ' ' TRP . 34.3 mt -102.92 99.99 9.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.6 ' H ' ' ND2' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -60.37 135.63 57.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.477 ' N ' ' O ' ' A' ' 133' ' ' ASP . 46.3 t-20 57.21 51.66 9.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -57.11 -11.91 1.87 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.3 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.824 -179.762 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.862 0.363 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 12.8 p -153.67 150.77 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 68.2 mt -92.52 103.43 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.148 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? -87.12 109.87 19.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 84.1 p -72.02 156.79 38.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.2 t -52.86 -174.83 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 43.6 p -98.65 127.19 44.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.188 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -124.95 151.03 45.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 99.4 p . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.791 -179.744 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.856 0.36 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.408 ' HG ' ' NE1' ' A' ' 47' ' ' TRP . 44.0 tp -74.15 125.68 28.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -121.23 168.88 11.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.408 ' NE1' ' HG ' ' A' ' 45' ' ' LEU . 49.8 m95 -149.41 147.46 28.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.938 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.5 p -137.59 153.51 49.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 29.5 mt -110.78 135.95 50.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 35.7 mtp180 -111.23 106.43 15.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.559 HG23 ' CZ3' ' A' ' 16' ' ' TRP . 74.0 t -108.01 131.29 58.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.47 ' N ' ' OD1' ' A' ' 52' ' ' ASN . 0.5 OUTLIER -119.95 101.8 47.3 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.582 0.706 . . . . 0.0 110.906 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.489 ' HA ' ' CD2' ' A' ' 64' ' ' LEU . 53.5 Cg_endo -69.8 -28.84 24.57 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.713 2.275 . . . . 0.0 112.304 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.3 tttm -96.94 -11.35 24.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.885 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.93 160.34 20.77 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.484 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.426 HD23 ' ND2' ' A' ' 52' ' ' ASN . 85.0 mt -72.91 -54.81 7.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.843 0.354 . . . . 0.0 110.89 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -126.77 166.35 17.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -53.66 -15.14 1.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -68.48 -42.34 78.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 51.4 p -124.53 51.15 1.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.854 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.3 ptmt -94.04 -34.12 13.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.442 ' N ' ' OD1' ' A' ' 62' ' ' ASP . 18.4 p-10 -74.18 -22.12 59.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.851 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.569 ' CD2' ' HG2' ' A' ' 115' ' ' LYS . 14.3 m-85 -105.95 170.43 7.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.489 ' CD2' ' HA ' ' A' ' 53' ' ' PRO . 2.7 tm? -96.7 125.9 41.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.919 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 t -102.55 110.64 22.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.404 ' HG ' ' CG2' ' A' ' 51' ' ' VAL . 5.8 tt -119.73 115.77 24.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -121.5 147.59 45.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.441 HD21 ' CD1' ' A' ' 82' ' ' PHE . 15.9 tp -97.36 114.61 26.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.954 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.9 tp -107.35 147.95 29.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.956 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.448 ' CD2' ' HB3' ' A' ' 73' ' ' CYS . 35.7 tp -96.37 88.75 4.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -41.45 -65.65 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.4 m -143.21 144.75 32.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.448 ' HB3' ' CD2' ' A' ' 70' ' ' LEU . 27.1 p -134.96 143.45 46.19 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.645 0.736 . . . . 0.0 110.851 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -49.51 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.642 2.228 . . . . 0.0 112.362 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.2 pttm -93.29 164.39 13.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.868 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.7 t -45.89 -61.69 1.63 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -128.32 158.44 38.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.5 p -143.24 140.28 26.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.138 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.4 mtp180 -106.35 130.3 54.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -161.44 153.35 19.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.05 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -107.41 136.96 46.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.441 ' CD1' HD21 ' A' ' 68' ' ' LEU . 31.5 p90 -115.95 159.43 21.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.401 ' C ' ' HD2' ' A' ' 83' ' ' LYS . 1.4 tmmt? -147.66 116.43 6.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -97.92 128.59 44.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 85.0 p -141.7 167.52 21.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.9 mt -126.03 133.45 68.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.0 mt -97.81 101.22 12.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.972 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.519 ' ND2' ' H ' ' A' ' 92' ' ' GLU . 0.3 OUTLIER -58.97 -175.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.48 -26.24 41.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.412 ' CB ' ' HG3' ' A' ' 92' ' ' GLU . 7.1 mptt -88.05 12.31 13.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.43 24.92 47.89 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.5 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.519 ' H ' ' ND2' ' A' ' 88' ' ' ASN . 6.5 mt-10 -105.97 140.47 38.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.841 0.353 . . . . 0.0 110.879 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -58.62 131.24 50.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.7 t -145.29 146.38 31.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.143 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.43 ' HE3' ' CE2' ' A' ' 121' ' ' PHE . 29.4 mmtt 48.98 47.56 21.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -94.26 154.77 17.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.064 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.574 ' HE2' ' CD2' ' A' ' 113' ' ' PHE . 5.0 ptp -122.43 120.51 34.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -98.35 166.43 11.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 40.9 t -118.08 155.88 29.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.817 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -78.32 -59.39 2.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.937 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 78.4 mtt180 -131.62 -175.75 3.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -93.41 145.02 24.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.08 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -106.55 173.99 6.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -84.72 110.58 18.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -102.51 117.23 34.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 16.9 m -124.65 147.66 29.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -42.2 99.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 108.23 19.8 8.7 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.541 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.6 tptt -104.69 143.19 33.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.799 0.333 . . . . 0.0 110.936 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -128.39 124.11 35.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.854 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 66.3 m95 -137.16 135.33 37.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.959 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 169.72 -153.69 22.14 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.428 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.574 ' CD2' ' HE2' ' A' ' 97' ' ' MET . 2.3 m-85 -114.11 153.08 30.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.93 0.395 . . . . 0.0 110.849 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 27.4 tttp -83.71 -55.84 4.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.91 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.569 ' HG2' ' CD2' ' A' ' 63' ' ' TYR . 2.6 mptt -101.48 95.16 6.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -79.99 -47.15 15.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.472 HD13 ' CD2' ' A' ' 121' ' ' PHE . 3.2 tt -174.62 145.26 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.109 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.512 ' HG2' ' CD1' ' A' ' 63' ' ' TYR . 15.9 mtt85 -57.32 120.13 7.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 10.2 ttp180 -49.23 -40.16 32.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -61.98 -39.56 92.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.599 ' CZ ' ' OD1' ' A' ' 127' ' ' ASN . 37.1 t80 -59.03 -24.0 62.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.6 mt -77.42 -61.7 1.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -59.86 -27.27 66.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.424 ' HB2' ' ND2' ' A' ' 127' ' ' ASN . 22.9 m-20 -54.01 127.36 26.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -69.32 -36.53 77.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -43.99 -35.49 2.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.132 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . 0.599 ' OD1' ' CZ ' ' A' ' 121' ' ' PHE . 1.4 m-80 -90.98 -30.81 16.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 69.46 3.16 38.54 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.45 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.477 HD12 ' N ' ' A' ' 129' ' ' LEU . 0.8 OUTLIER -41.05 -28.2 0.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.818 0.342 . . . . 0.0 110.942 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 6.0 mt -128.96 84.5 62.89 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.621 0.724 . . . . 0.0 110.94 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -31.15 21.15 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.684 2.256 . . . . 0.0 112.362 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -120.92 24.82 10.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' ' 20' ' ' ASN . 7.6 m-20 65.22 31.78 10.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -126.42 129.46 48.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 50.0 tp -92.8 96.32 10.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 85.9 m -75.81 95.31 3.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 15.2 mt -90.18 112.22 23.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -100.89 104.94 16.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 29.9 t -107.36 144.99 33.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -131.12 124.52 30.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 40.9 t -112.66 136.18 49.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.105 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -121.95 111.29 16.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 67.7 t -85.84 120.21 35.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.195 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . 0.482 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 28.7 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.162 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.832 0.349 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 79.6 t -99.24 110.51 26.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.122 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.39 158.12 25.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.923 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -145.78 149.82 35.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.501 ' HB2' ' CZ ' ' A' ' 138' ' ' PHE . 81.0 p -110.01 137.54 47.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -132.36 117.39 18.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 36.4 ttm -89.01 113.0 24.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 9.7 t90 -105.5 99.93 9.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.7 m -91.58 110.87 22.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.196 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 23.8 mt -94.67 99.84 10.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -70.16 136.59 50.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 24.8 m-20 61.67 46.71 6.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -61.24 -18.73 59.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 60.0 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.788 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.851 0.358 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.2 p -141.42 162.89 21.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 64.7 mt -114.23 116.6 53.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.151 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.3 mttt -96.85 131.22 43.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 95.8 p -94.67 -178.37 4.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 m -69.93 173.69 6.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.858 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 72.3 p -97.84 125.73 42.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.105 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.421 ' CD1' ' N ' ' A' ' 37' ' ' PHE . 3.1 p90 -122.21 145.8 47.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.851 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.481 ' HB3' ' CE ' ' A' ' 46' ' ' LYS . 61.0 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 41.5 mmtt . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.812 0.339 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.426 ' HG ' ' NE1' ' A' ' 47' ' ' TRP . 44.1 tp -54.41 123.74 13.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.481 ' CE ' ' HB3' ' A' ' 38' ' ' SER . 3.5 mmpt? -111.15 167.99 9.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.887 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.426 ' NE1' ' HG ' ' A' ' 45' ' ' LEU . 73.9 m95 -147.6 148.83 31.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 24.4 t -143.79 151.74 40.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 81.2 mt -109.09 142.98 39.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 46.5 mtp180 -118.01 104.73 11.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.431 ' CG2' ' HG ' ' A' ' 66' ' ' LEU . 50.2 t -103.91 145.05 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.123 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.468 ' N ' ' OD1' ' A' ' 52' ' ' ASN . 0.5 OUTLIER -134.99 102.09 11.19 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.663 0.744 . . . . 0.0 110.831 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -4.91 15.03 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.716 2.278 . . . . 0.0 112.341 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.0 tttt -130.36 0.8 4.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 70.06 -167.68 48.55 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.505 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.457 ' N ' ' CD2' ' A' ' 56' ' ' LEU . 1.9 mm? -97.01 -43.56 7.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.794 0.33 . . . . 0.0 110.94 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.49 ' CG ' ' N ' ' A' ' 58' ' ' GLU . 13.8 t70 -133.51 171.78 13.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.49 ' N ' ' CG ' ' A' ' 57' ' ' ASP . 10.8 mp0 -52.03 -24.42 6.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -53.91 -60.61 3.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.886 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 18.8 t -105.29 50.44 0.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -87.4 -32.48 19.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -72.08 -43.69 64.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.433 ' CD1' ' HG2' ' A' ' 115' ' ' LYS . 0.2 OUTLIER -93.33 167.13 11.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.827 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.424 HD23 ' C ' ' A' ' 65' ' ' SER . 9.1 tt -94.76 149.46 21.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.914 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.424 ' C ' HD23 ' A' ' 64' ' ' LEU . 1.8 t -116.65 125.55 51.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.807 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.431 ' HG ' ' CG2' ' A' ' 51' ' ' VAL . 5.1 tt -129.87 114.6 16.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -119.43 144.47 46.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 16.8 tp -94.13 106.34 18.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.923 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.1 tp -99.21 145.4 27.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.449 ' CD2' ' HB3' ' A' ' 73' ' ' CYS . 47.5 tp -93.73 84.09 4.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.468 HG12 ' CB ' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -35.26 -65.66 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 179.895 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.7 m -145.85 145.68 30.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.449 ' HB3' ' CD2' ' A' ' 70' ' ' LEU . 30.4 p -139.16 140.9 27.82 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.592 0.711 . . . . 0.0 110.926 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -47.97 0.83 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.662 2.241 . . . . 0.0 112.389 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.6 pttt -90.91 157.25 17.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 70.8 m -43.17 -66.69 0.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -120.78 159.72 24.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.864 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.5 p -150.5 134.95 9.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.155 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 40.7 mtt180 -104.27 135.96 44.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.868 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -160.66 156.22 25.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.174 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 36.4 mttm -103.92 138.73 40.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -124.83 154.52 40.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.0 tmmm? -147.86 120.31 8.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -98.11 141.96 30.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 18.0 p -156.37 145.68 20.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 47.6 mt -106.12 123.92 61.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.112 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.0 mt -88.55 115.34 26.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.445 ' C ' ' OD1' ' A' ' 88' ' ' ASN . 37.4 p30 -65.75 -176.67 0.39 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -52.73 -36.82 58.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.108 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.463 ' HD2' ' N ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -85.09 17.28 3.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 57.76 27.91 59.65 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.494 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -99.91 134.24 43.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.817 0.342 . . . . 0.0 110.866 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -58.35 133.75 55.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.0 t -155.37 141.37 18.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.126 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.441 ' CE ' HD12 ' A' ' 117' ' ' ILE . 20.1 mmmt 59.75 40.16 19.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -91.66 162.22 14.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.048 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.503 ' HE3' ' CG ' ' A' ' 113' ' ' PHE . 23.5 mtm -139.91 140.86 36.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -115.2 162.76 16.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.5 t -103.01 147.4 26.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -59.44 -42.67 92.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 46.5 ptt85 -162.85 174.56 12.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.62 153.86 42.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.083 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -123.07 170.85 9.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 48.3 ttt-85 -89.69 108.86 19.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -98.62 150.15 22.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.87 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.417 ' O ' ' N ' ' A' ' 109' ' ' LYS . 13.2 m -152.65 148.25 14.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.136 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -39.19 97.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.945 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 106' ' ' VAL . . . 105.29 22.28 8.32 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.483 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 106' ' ' VAL . 11.4 tptt -101.88 142.12 33.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.819 0.343 . . . . 0.0 110.866 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -128.27 123.37 33.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.871 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 77.4 m95 -134.23 131.89 39.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 171.69 -152.89 18.71 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.503 ' CG ' ' HE3' ' A' ' 97' ' ' MET . 15.4 m-85 -123.82 144.89 49.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.92 0.39 . . . . 0.0 110.869 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 24.4 tttp -72.14 -56.25 5.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.936 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.433 ' HG2' ' CD1' ' A' ' 63' ' ' TYR . 16.9 mttp -98.28 94.54 6.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.471 ' CD2' HG21 ' A' ' 117' ' ' ILE . 14.4 t80 -80.95 -56.09 4.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.471 HG21 ' CD2' ' A' ' 116' ' ' PHE . 3.0 tt -161.62 147.4 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.099 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.406 ' HG2' ' CD2' ' A' ' 63' ' ' TYR . 16.3 mtt180 -57.75 118.44 5.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 16.2 ttp180 -51.52 -32.77 29.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -63.0 -38.39 90.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.531 ' CZ ' ' OD1' ' A' ' 127' ' ' ASN . 6.1 t80 -58.63 -36.44 74.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 6.5 mp -69.11 -54.44 14.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.3 mt -67.73 -22.05 65.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.463 ' OD2' ' N ' ' A' ' 126' ' ' ALA . 19.4 t70 -54.98 158.95 2.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -99.76 -32.73 10.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . 0.463 ' N ' ' OD2' ' A' ' 124' ' ' ASP . . . -52.25 -31.9 34.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . 0.531 ' OD1' ' CZ ' ' A' ' 121' ' ' PHE . 41.0 m-20 -94.16 -32.78 13.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 58.03 42.08 94.8 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.518 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 69.6 mt -73.58 -20.01 60.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.848 0.356 . . . . 0.0 110.957 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 1.9 mt -130.12 81.08 69.59 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.616 0.722 . . . . 0.0 110.923 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -21.4 33.24 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.656 2.238 . . . . 0.0 112.337 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -129.62 26.59 5.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 64.69 25.35 13.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 2.6 ptpt -123.48 132.86 54.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 15.1 tp -97.52 114.18 26.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 93.2 m -90.68 95.83 10.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.206 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 10.5 mt -93.6 113.57 25.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . 0.501 ' CZ ' ' HB2' ' A' ' 13' ' ' SER . 17.2 t80 -99.5 105.89 17.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 29.6 t -106.95 146.09 31.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -130.32 114.3 15.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 20.3 t -103.72 133.88 46.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 11.1 m -120.81 111.96 18.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.822 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 97.4 t -86.27 127.17 40.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.104 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . 0.485 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 25.4 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.127 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.8 p . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.8 0.333 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 90.2 t -88.13 103.72 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.16 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.16 155.39 30.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -141.05 145.8 36.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.562 ' HB2' ' CZ ' ' A' ' 138' ' ' PHE . 85.3 p -107.84 126.6 52.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.548 ' CD1' ' HB3' ' A' ' 37' ' ' PHE . 87.9 t80 -118.44 109.65 16.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 28.1 ttm -89.81 121.04 31.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.546 ' CZ2' HD13 ' A' ' 18' ' ' ILE . 9.5 t90 -120.19 105.89 11.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 97.3 m -94.02 129.09 40.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.086 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.546 HD13 ' CZ2' ' A' ' 16' ' ' TRP . 44.6 mt -111.74 98.46 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.22 138.34 57.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.4 ' OD1' ' N ' ' A' ' 20' ' ' ASN . 0.9 OUTLIER 60.05 49.19 7.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.852 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.561 ' CE1' ' HB3' ' A' ' 53' ' ' PRO . 66.8 t80 -57.18 -25.56 59.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.848 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.0 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.755 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.48 ' O ' ' ND2' ' A' ' 52' ' ' ASN . 12.6 mp0 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.846 0.355 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.476 HG22 ' N ' ' A' ' 32' ' ' ILE . 14.4 p -117.34 144.39 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.083 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.476 ' N ' HG22 ' A' ' 31' ' ' VAL . 18.5 mt -88.85 105.79 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.8 mtmm -88.84 115.3 26.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 57.3 p -74.76 -177.67 3.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.3 p -73.39 170.6 14.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.797 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 70.6 p -87.64 130.13 34.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.156 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.548 ' HB3' ' CD1' ' A' ' 14' ' ' TYR . 6.5 p90 -119.74 155.52 32.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.919 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 56.3 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.797 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.8 mmtp . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.838 0.351 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.473 HD22 ' NE1' ' A' ' 47' ' ' TRP . 2.1 tt -66.02 127.31 31.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.55 ' C ' ' CG1' ' A' ' 71' ' ' VAL . 37.8 mmtm -117.63 156.38 28.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.473 ' NE1' HD22 ' A' ' 45' ' ' LEU . 70.2 m95 -132.02 151.02 51.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 14.5 p -138.88 154.64 48.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.848 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.4 mt -114.69 132.64 56.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.968 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 23.3 mtp180 -109.09 104.69 13.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.835 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.426 HG12 ' N ' ' A' ' 52' ' ' ASN . 94.3 t -112.91 136.29 49.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.48 ' ND2' ' O ' ' A' ' 30' ' ' GLU . 5.2 t-20 -131.17 101.85 16.1 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.606 0.717 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.561 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 53.7 Cg_endo -69.74 -2.21 9.77 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.676 2.251 . . . . 0.0 112.363 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.0 tttt -124.07 6.96 8.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 61.47 -165.94 16.75 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.492 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 18.4 mt -112.57 -44.26 3.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.813 0.34 . . . . 0.0 110.89 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.42 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 0.2 OUTLIER -121.15 153.25 37.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.861 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -48.27 -20.6 0.4 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -68.75 -64.22 0.91 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.419 ' CB ' ' HD3' ' A' ' 115' ' ' LYS . 79.7 p -89.81 32.82 0.87 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.478 ' CG ' ' N ' ' A' ' 62' ' ' ASP . 10.1 ptmt -78.57 -46.64 18.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.478 ' N ' ' CG ' ' A' ' 61' ' ' LYS . 29.1 m-20 -63.66 -20.18 65.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.552 ' CE2' ' HG3' ' A' ' 118' ' ' ARG . 75.2 m-85 -105.45 160.69 14.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.488 ' CD2' ' HA ' ' A' ' 53' ' ' PRO . 2.8 tm? -89.68 125.59 35.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 32.4 t -98.43 112.31 24.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 23.1 tp -123.96 123.02 39.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.924 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -127.37 149.32 50.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.431 HD13 ' C ' ' A' ' 68' ' ' LEU . 0.7 OUTLIER -95.46 109.07 21.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.914 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.488 ' CD1' ' O ' ' A' ' 109' ' ' LYS . 7.0 tp -102.3 143.16 32.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 71' ' ' VAL . 40.5 tp -92.95 82.71 4.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.55 ' CG1' ' C ' ' A' ' 46' ' ' LYS . 1.3 p -34.03 -59.86 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.144 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 45.4 t -152.37 156.88 40.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 28.7 p -148.13 142.68 16.72 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.584 0.707 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -51.11 0.4 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.638 2.225 . . . . 0.0 112.375 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.0 pttm -90.6 167.93 12.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.3 t -45.28 -62.41 1.27 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.474 ' CB ' HG11 ' A' ' 106' ' ' VAL . 5.0 pt-20 -132.33 160.52 36.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.406 ' CG1' HD21 ' A' ' 70' ' ' LEU . 1.5 p -139.12 150.36 23.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.137 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 20.6 mtt180 -114.77 127.68 55.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -153.88 161.38 42.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 61.6 mttt -109.93 121.92 46.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 22.4 p90 -106.32 148.82 27.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.406 ' HD2' ' C ' ' A' ' 83' ' ' LYS . 1.1 tmmt? -141.08 124.66 16.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -101.63 133.81 45.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.458 ' CB ' ' HB1' ' A' ' 96' ' ' ALA . 60.7 p -147.63 166.44 27.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.41 HD12 ' CE2' ' A' ' 116' ' ' PHE . 19.1 mt -129.33 132.02 67.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.9 mt -94.59 110.97 22.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.935 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.538 ' ND2' ' H ' ' A' ' 92' ' ' GLU . 0.6 OUTLIER -65.53 -174.93 0.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -52.66 -35.04 54.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.14 14.8 3.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.927 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.66 23.59 44.43 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.444 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.538 ' H ' ' ND2' ' A' ' 88' ' ' ASN . 24.3 mt-10 -101.27 139.05 37.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.809 0.338 . . . . 0.0 110.877 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -57.24 133.86 55.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.861 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.7 t -153.89 150.02 27.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.194 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.472 ' HE3' ' CE2' ' A' ' 121' ' ' PHE . 0.0 OUTLIER 49.94 49.94 19.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.868 179.903 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.458 ' HB1' ' CB ' ' A' ' 85' ' ' SER . . . -102.17 158.29 16.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.465 ' HE1' ' CG ' ' A' ' 113' ' ' PHE . 19.0 mtm -130.75 132.76 45.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -106.67 170.29 8.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.8 m -115.36 160.83 19.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.843 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -76.28 -66.12 0.84 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 24.0 ttt-85 -136.75 140.92 42.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.825 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -43.2 146.95 0.39 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.065 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -108.21 160.02 16.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 18.2 ttt180 -74.47 98.84 3.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.494 ' CE1' ' HB2' ' A' ' 111' ' ' TRP . 13.5 m-85 -87.4 149.11 24.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.474 HG11 ' CB ' ' A' ' 77' ' ' GLU . 11.4 m -151.59 164.58 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.108 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -53.29 119.43 4.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 80.31 18.12 72.29 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.537 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.488 ' O ' ' CD1' ' A' ' 69' ' ' LEU . 19.5 tptt -89.98 158.66 17.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.764 0.316 . . . . 0.0 110.886 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -144.35 123.52 12.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.494 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 77.8 m95 -134.62 124.78 25.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 179.37 -158.43 22.37 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.455 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.465 ' CG ' ' HE1' ' A' ' 97' ' ' MET . 2.9 m-85 -116.61 162.95 16.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.934 0.397 . . . . 0.0 110.865 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 25.4 tttt -88.98 -46.42 8.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.419 ' HD3' ' CB ' ' A' ' 60' ' ' SER . 8.9 mmtm -110.11 92.73 4.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.41 ' CE2' HD12 ' A' ' 86' ' ' ILE . 11.7 t80 -79.42 -49.97 11.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.408 HG21 ' CD1' ' A' ' 86' ' ' ILE . 3.2 tt -171.59 147.46 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.552 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 21.0 mtm180 -59.15 112.94 1.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 15.5 ttp180 -45.79 -35.64 4.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.17 -35.57 80.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.584 ' CZ ' ' OD1' ' A' ' 127' ' ' ASN . 49.8 t80 -61.15 -26.04 67.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.453 HD21 ' CD1' ' A' ' 135' ' ' LEU . 5.9 mp -75.64 -54.04 7.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -82.64 21.45 0.99 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -87.99 158.16 18.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -93.22 -34.3 13.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.08 -43.43 70.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.086 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . 0.584 ' OD1' ' CZ ' ' A' ' 121' ' ' PHE . 12.7 m-80 -92.61 -47.53 7.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 74.43 42.9 32.52 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.526 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.52 HD21 ' CD2' ' A' ' 121' ' ' PHE . 3.1 mm? -60.11 -25.77 65.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.9 0.381 . . . . 0.0 110.961 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.465 ' N ' HD13 ' A' ' 130' ' ' LEU . 5.8 mp -124.59 93.04 46.98 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.581 0.705 . . . . 0.0 110.919 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -21.9 32.9 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.67 2.247 . . . . 0.0 112.326 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -129.7 25.7 5.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.831 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 63.75 37.67 9.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 3.8 ptpt -134.43 128.37 33.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.453 ' CD1' HD21 ' A' ' 122' ' ' LEU . 18.1 tp -88.23 115.19 25.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 73.4 m -99.47 96.94 8.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.137 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 8.1 mt -89.46 123.22 33.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . 0.562 ' CZ ' ' HB2' ' A' ' 13' ' ' SER . 19.3 t80 -108.98 105.91 15.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 42.5 t -106.36 136.75 45.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -121.81 113.48 19.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 59.1 t -105.75 131.44 55.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 15.1 m -118.73 117.66 29.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.838 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 57.7 t -88.74 120.27 37.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.123 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 34.7 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.129 179.932 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.456 ' CG2' ' HD2' ' A' ' 11' ' ' LYS . 2.4 p . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.892 0.377 . . . . 0.0 111.124 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 94.3 t -91.07 96.98 6.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.136 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.456 ' HD2' ' CG2' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -90.59 158.6 16.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.568 ' CE2' ' HB ' ' A' ' 141' ' ' VAL . 5.0 p90 -167.97 137.67 2.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.883 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 59.9 p -111.63 153.24 26.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.735 ' CD2' ' CD2' ' A' ' 37' ' ' PHE . 16.3 t80 -139.03 117.65 12.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.934 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 29.0 ttm -86.94 124.55 33.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.472 ' CZ2' HD12 ' A' ' 18' ' ' ILE . 11.3 t90 -123.47 103.14 8.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.4 m -94.06 117.77 30.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.472 HD12 ' CZ2' ' A' ' 16' ' ' TRP . 78.0 mt -97.4 102.46 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -66.92 134.06 51.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.424 ' N ' ' OD1' ' A' ' 20' ' ' ASN . 0.8 OUTLIER 64.8 44.97 3.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -55.46 -31.5 62.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 78.6 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.797 -179.775 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.913 0.387 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.425 ' HB ' ' ND2' ' A' ' 52' ' ' ASN . 7.6 p -146.79 143.91 20.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.09 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 25.3 mt -89.6 100.54 11.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.183 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.1 mttt -84.64 121.03 27.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 77.3 p -76.92 170.12 17.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.2 m -66.12 173.71 2.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.844 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 43.0 p -87.94 125.4 34.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.165 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.735 ' CD2' ' CD2' ' A' ' 14' ' ' TYR . 45.4 p90 -122.52 142.11 50.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.85 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.3 p . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.839 -179.797 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.2 mmtt . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.792 0.33 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.65 104.66 2.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 51.0 mmtt -105.9 170.32 7.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 59.6 m95 -144.73 152.93 41.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.93 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.6 p -144.13 153.66 42.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.416 ' CD2' HD23 ' A' ' 68' ' ' LEU . 90.8 mt -110.25 137.25 48.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 49.6 mtp180 -112.11 103.6 11.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.835 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 76.5 t -106.57 144.24 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.151 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.425 ' ND2' ' HB ' ' A' ' 31' ' ' VAL . 0.5 OUTLIER -134.47 102.35 11.69 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.665 0.745 . . . . 0.0 110.858 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -44.03 2.3 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.671 2.248 . . . . 0.0 112.31 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 30.0 tttp -80.15 -3.33 48.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 68.42 150.79 0.3 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.7 -55.87 25.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.83 0.348 . . . . 0.0 110.91 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.488 ' CG ' ' N ' ' A' ' 58' ' ' GLU . 14.6 t70 -136.09 171.54 14.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.488 ' N ' ' CG ' ' A' ' 57' ' ' ASP . 16.7 mp0 -52.44 -19.85 2.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -58.14 -46.05 86.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.5 p -124.09 50.41 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.7 ptmm? -84.89 -29.92 24.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -66.62 -56.88 8.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.521 ' CD2' ' HG2' ' A' ' 118' ' ' ARG . 0.3 OUTLIER -89.09 177.3 6.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.969 -179.879 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.1 tt -96.51 156.23 16.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.4 t -117.36 114.5 23.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.825 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.449 HD22 ' CE2' ' A' ' 84' ' ' PHE . 6.0 tt -127.08 114.18 17.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.946 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -119.45 148.67 42.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.449 HD12 ' CE1' ' A' ' 105' ' ' PHE . 2.0 tm? -92.36 107.18 19.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.919 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.424 ' HG ' ' N ' ' A' ' 70' ' ' LEU . 6.7 tp -102.32 152.69 20.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.923 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.424 ' N ' ' HG ' ' A' ' 69' ' ' LEU . 15.8 tp -102.26 94.44 5.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -47.54 -66.81 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.9 t -143.36 143.63 31.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.892 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 31.4 p -136.1 142.67 40.97 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.584 0.707 . . . . 0.0 110.936 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -43.98 2.33 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.689 2.26 . . . . 0.0 112.334 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.3 pttm -97.8 159.01 15.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 t -45.81 -61.25 1.8 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.822 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -123.26 159.35 28.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.5 p -149.65 140.44 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.7 mtt-85 -107.67 121.74 45.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -151.19 156.39 40.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.068 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 37.9 mttt -103.69 143.94 32.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -124.29 153.31 41.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.41 ' HD2' ' C ' ' A' ' 83' ' ' LYS . 1.2 tmmt? -146.95 126.7 13.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.926 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.449 ' CE2' HD22 ' A' ' 66' ' ' LEU . 12.6 m-85 -104.22 136.52 43.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.469 ' CB ' ' HB2' ' A' ' 96' ' ' ALA . 32.6 p -149.42 162.81 39.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 26.3 mt -121.69 132.15 71.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.137 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.5 mt -98.53 105.89 18.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.592 ' ND2' ' H ' ' A' ' 92' ' ' GLU . 0.4 OUTLIER -59.93 -176.37 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -54.54 -28.53 46.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.103 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.02 13.97 8.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.917 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.79 25.46 52.1 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.484 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.592 ' H ' ' ND2' ' A' ' 88' ' ' ASN . 23.6 mt-10 -102.65 142.58 33.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.807 0.336 . . . . 0.0 110.915 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -63.82 134.17 54.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.891 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.8 t -156.36 146.7 21.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.148 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 51.8 mmtt 54.51 46.09 25.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.469 ' HB2' ' CB ' ' A' ' 85' ' ' SER . . . -100.28 156.02 17.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.127 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 20.9 mtm -127.03 122.24 33.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -94.88 158.89 15.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 53.7 p -103.52 159.79 15.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.878 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -77.73 -66.23 0.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -133.71 167.34 20.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.51 161.63 30.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.088 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -126.53 169.13 13.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.899 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 23.3 ttm180 -80.29 99.49 7.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.449 ' CE1' HD12 ' A' ' 68' ' ' LEU . 35.3 m-85 -90.46 142.01 28.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 17.0 m -149.74 146.87 16.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.101 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -40.17 100.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.927 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 104.41 20.37 10.35 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.491 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 20.9 tptt -102.91 145.37 29.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.806 0.336 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -130.2 123.78 31.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 71.1 m95 -138.51 115.32 10.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -171.73 -154.83 10.27 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.48 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -120.64 145.9 46.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.981 0.42 . . . . 0.0 110.878 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.8 tttt -75.77 -59.53 2.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -88.6 92.89 9.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -84.52 -56.75 3.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.873 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.486 HG13 ' N ' ' A' ' 118' ' ' ARG . 7.3 tp -157.91 153.42 6.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.521 ' HG2' ' CD2' ' A' ' 63' ' ' TYR . 28.4 mtt180 -75.69 107.51 7.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.814 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 37.4 mtp180 -38.51 -45.24 1.03 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -53.45 -42.06 66.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.593 ' CE1' ' OD1' ' A' ' 127' ' ' ASN . 65.8 t80 -63.68 -32.44 73.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.451 HD23 ' CG2' ' A' ' 117' ' ' ILE . 12.6 mt -73.69 -56.97 4.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.6 mp -61.41 -25.37 67.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.94 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.492 ' OD2' ' N ' ' A' ' 126' ' ' ALA . 13.2 t70 -54.64 159.15 2.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -100.21 -33.99 10.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . 0.492 ' N ' ' OD2' ' A' ' 124' ' ' ASP . . . -45.33 -38.07 5.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.085 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . 0.593 ' OD1' ' CE1' ' A' ' 121' ' ' PHE . 8.8 m-80 -86.38 -40.0 15.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.973 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 74.18 38.61 46.53 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.455 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 73.4 mt -78.73 -22.08 47.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.818 0.342 . . . . 0.0 110.919 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.5 mt -133.61 84.65 44.77 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.594 0.711 . . . . 0.0 110.891 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -23.58 30.82 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.669 2.246 . . . . 0.0 112.36 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -133.39 28.33 4.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 20' ' ' ASN . 4.3 m-20 64.99 27.07 12.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.835 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 6.5 mtpt -112.71 124.04 51.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 67.5 tp -96.81 95.38 7.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.962 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 81.8 m -80.52 95.45 6.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.185 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 17.0 mt -90.7 115.6 27.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -98.35 109.65 22.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 42.0 t -104.23 150.17 24.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.874 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -134.77 115.04 13.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . 0.568 ' HB ' ' CE2' ' A' ' 12' ' ' PHE . 22.4 t -107.21 139.6 28.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.109 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.2 m -126.85 107.19 9.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 47.9 t -87.26 110.53 20.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.174 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . 0.407 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 19.4 m . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.499 ' CG2' ' N ' ' A' ' 10' ' ' VAL . 2.2 p . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.828 0.346 . . . . 0.0 111.186 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.499 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 57.5 t -111.78 99.99 9.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.15 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.478 ' HG2' ' CB ' ' A' ' 142' ' ' SER . 18.5 mtmt -108.5 160.61 15.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.566 ' CZ ' ' HB ' ' A' ' 141' ' ' VAL . 34.0 p90 -159.26 135.23 8.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.831 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.483 ' HB2' ' CE1' ' A' ' 138' ' ' PHE . 93.9 p -107.29 132.17 53.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.828 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -122.35 115.93 23.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.87 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 32.9 ttm -87.14 119.14 27.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.93 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 8.9 t90 -118.54 99.52 6.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.2 m -90.63 126.94 36.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.151 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 29.5 mt -106.73 100.81 11.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.8 127.54 33.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 74.76 44.21 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -54.55 -38.15 66.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.4 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.802 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.858 0.361 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.418 HG22 ' N ' ' A' ' 32' ' ' ILE . 11.9 p -121.98 142.92 36.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.109 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.418 ' N ' HG22 ' A' ' 31' ' ' VAL . 48.6 mt -91.31 112.35 25.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.4 mtmp? -95.0 130.68 41.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.861 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 87.2 p -94.13 178.51 5.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.7 m -64.97 -179.15 0.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.829 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.6 p -102.22 121.23 41.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.105 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.426 ' CD1' ' N ' ' A' ' 37' ' ' PHE . 3.3 p90 -120.35 140.47 51.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 89.3 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.82 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.1 mmmm . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.802 0.334 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 53.5 tp -66.56 113.19 4.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 57.9 mmtt -111.41 164.98 12.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.414 ' C ' HG12 ' A' ' 71' ' ' VAL . 72.1 m95 -142.63 152.57 42.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.499 ' HG ' ' N ' ' A' ' 49' ' ' LEU . 8.4 t -141.42 149.42 41.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.499 ' N ' ' HG ' ' A' ' 48' ' ' CYS . 40.6 mt -106.0 136.21 46.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 25.3 mtt180 -113.27 104.65 12.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 77.9 t -105.33 142.4 18.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -132.33 102.35 14.27 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.676 0.75 . . . . 0.0 110.918 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 -27.18 27.02 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.73 2.286 . . . . 0.0 112.332 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -100.19 -12.32 19.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 80.61 -161.26 44.29 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.511 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 15.3 mt -113.62 -48.12 2.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.821 0.343 . . . . 0.0 110.932 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.44 156.87 43.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -39.64 -34.2 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -55.04 -58.66 6.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.457 ' HB2' ' CE ' ' A' ' 114' ' ' LYS . 9.4 t -94.21 38.9 1.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.423 ' CG ' ' N ' ' A' ' 62' ' ' ASP . 18.1 ptmt -84.72 -45.56 12.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.929 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.423 ' N ' ' CG ' ' A' ' 61' ' ' LYS . 1.6 m-20 -66.48 -38.3 86.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.442 ' CE2' ' CG ' ' A' ' 118' ' ' ARG . 4.9 m-85 -97.37 161.01 13.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.892 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.6 tt -90.99 155.95 18.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.951 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.4 t -120.61 119.53 33.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.504 HD22 ' CG ' ' A' ' 84' ' ' PHE . 42.9 tp -127.04 116.76 21.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.862 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -124.47 147.46 48.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 22.4 tp -94.92 106.55 18.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.1 tp -99.97 137.45 38.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.423 ' CD2' ' HB3' ' A' ' 73' ' ' CYS . 7.3 tp -86.97 86.29 7.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.946 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.414 HG12 ' C ' ' A' ' 47' ' ' TRP . 0.2 OUTLIER -38.25 -65.74 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 179.819 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.9 m -144.46 146.28 32.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.839 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.423 ' HB3' ' CD2' ' A' ' 70' ' ' LEU . 31.1 p -138.44 143.16 37.38 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.619 0.724 . . . . 0.0 110.901 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -38.92 7.1 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.685 2.256 . . . . 0.0 112.342 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 76' ' ' SER . 24.5 pttt -105.15 146.45 29.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 75' ' ' LYS . 3.1 m -36.31 -69.41 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -112.88 154.54 26.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.5 p -145.52 144.47 21.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.13 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 22.7 mtp180 -107.36 124.48 49.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.45 163.08 38.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 24.6 mttp -107.99 178.01 4.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.469 ' CE1' ' OG ' ' A' ' 99' ' ' SER . 28.6 p90 -159.24 150.07 19.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -148.0 122.83 9.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.504 ' CG ' HD22 ' A' ' 66' ' ' LEU . 30.4 m-85 -102.57 139.09 38.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.423 ' CB ' ' HB1' ' A' ' 96' ' ' ALA . 50.2 p -152.69 159.62 43.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.42 ' O ' ' N ' ' A' ' 94' ' ' THR . 18.7 mt -117.75 137.81 50.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.104 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.409 ' N ' HG22 ' A' ' 86' ' ' ILE . 4.9 mt -100.99 106.09 17.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.944 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.556 ' ND2' ' H ' ' A' ' 92' ' ' GLU . 0.5 OUTLIER -59.68 -175.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.42 -32.0 47.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.24 14.92 3.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.88 25.25 52.32 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.512 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.556 ' H ' ' ND2' ' A' ' 88' ' ' ASN . 12.8 mt-10 -105.29 142.87 34.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.803 0.335 . . . . 0.0 110.893 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -58.45 139.33 55.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 86' ' ' ILE . 2.3 t -159.12 138.26 11.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.139 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 49.9 mmtt 59.03 47.62 11.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.922 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.423 ' HB1' ' CB ' ' A' ' 85' ' ' SER . . . -96.45 167.06 11.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.105 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.477 ' CE ' ' CG ' ' A' ' 113' ' ' PHE . 8.9 mtm -136.87 130.17 31.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -96.88 161.5 13.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.469 ' OG ' ' CE1' ' A' ' 82' ' ' PHE . 16.0 m -100.83 158.55 15.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -75.91 -46.99 27.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.919 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.8 ptp85 -165.05 178.74 6.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.83 131.01 37.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -102.59 161.37 13.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.95 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 23.4 ttp180 -73.48 97.51 2.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -84.68 151.17 24.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.442 ' CG2' ' HB2' ' A' ' 109' ' ' LYS . 15.9 m -154.07 148.81 13.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.108 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -42.57 96.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.932 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 105.32 20.2 9.88 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.484 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.442 ' HB2' ' CG2' ' A' ' 106' ' ' VAL . 14.5 tptt -96.98 144.4 26.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.788 0.328 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.24 118.28 23.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 73.2 m95 -134.12 125.09 27.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 178.93 -141.07 4.73 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.526 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.477 ' CG ' ' CE ' ' A' ' 97' ' ' MET . 17.9 m-85 -127.75 159.01 36.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.941 0.401 . . . . 0.0 110.887 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.457 ' CE ' ' HB2' ' A' ' 60' ' ' SER . 64.9 tttt -88.77 -50.96 5.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.914 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.402 ' HD2' ' CD1' ' A' ' 63' ' ' TYR . 12.0 mmtp -104.99 95.11 5.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -83.33 -57.31 3.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.508 HG13 ' N ' ' A' ' 118' ' ' ARG . 6.3 tp -155.53 151.14 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.508 ' N ' HG13 ' A' ' 117' ' ' ILE . 4.7 mtp180 -68.33 116.17 8.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 25.7 ttp85 -50.16 -38.46 39.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -62.32 -40.24 95.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.478 ' CZ ' ' CG ' ' A' ' 127' ' ' ASN . 58.1 t80 -57.46 -48.12 80.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.437 ' HA ' ' CD1' ' A' ' 129' ' ' LEU . 6.5 mp -53.77 -67.19 0.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.958 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.458 ' N ' HD13 ' A' ' 123' ' ' LEU . 4.6 mp -50.85 -36.43 37.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.95 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -43.17 144.76 0.61 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -84.86 -34.5 22.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -42.15 -43.66 3.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . 0.478 ' CG ' ' CZ ' ' A' ' 121' ' ' PHE . 4.5 m-20 -87.55 -41.53 13.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 69.68 35.19 73.64 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.523 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.437 ' CD1' ' HA ' ' A' ' 122' ' ' LEU . 43.2 mt -65.17 -17.21 64.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.875 0.369 . . . . 0.0 110.904 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.4 mt -132.65 80.07 62.81 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.61 0.719 . . . . 0.0 110.917 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -20.48 34.8 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.66 2.24 . . . . 0.0 112.37 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -124.48 27.42 6.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.878 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 59.03 25.17 13.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 11.7 ptpt -127.06 130.83 50.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 55.2 tp -95.35 128.79 42.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 97.5 m -107.04 98.36 8.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 9.1 mt -89.86 117.74 28.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.968 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . 0.483 ' CE1' ' HB2' ' A' ' 13' ' ' SER . 16.2 t80 -103.91 103.81 13.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 24.6 t -105.83 151.95 23.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -135.86 122.22 20.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . 0.566 ' HB ' ' CZ ' ' A' ' 12' ' ' PHE . 25.7 t -109.96 142.67 21.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.125 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' SER . . . . . 0.478 ' CB ' ' HG2' ' A' ' 11' ' ' LYS . 0.9 OUTLIER -126.21 113.47 17.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.888 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 46.8 t -93.84 117.8 38.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.132 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . 0.445 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 34.9 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.191 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.893 0.378 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 87.1 t -96.35 103.67 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.13 164.71 12.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -151.1 141.03 21.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 83.0 p -109.16 130.25 55.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.721 ' CD2' ' CD2' ' A' ' 37' ' ' PHE . 34.5 t80 -125.59 118.74 26.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.943 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 37.4 ttm -93.26 115.94 28.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.461 ' CZ3' HG23 ' A' ' 51' ' ' VAL . 9.6 t90 -115.15 101.98 9.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.4 m -93.6 115.25 27.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 30.7 mt -91.8 99.62 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.172 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.466 ' H ' ' ND2' ' A' ' 19' ' ' ASN . 0.4 OUTLIER -67.56 138.21 56.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.4 m120 64.31 43.88 4.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -54.07 -30.36 47.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.5 t . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.771 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.496 ' O ' ' ND2' ' A' ' 52' ' ' ASN . 21.5 mt-10 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.873 0.368 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.7 p -131.74 152.48 37.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.9 mt -104.41 101.57 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.09 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.0 mtmp? -88.46 121.3 30.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 83.9 p -87.74 163.16 16.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.7 m -49.03 176.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 24.7 p -90.45 124.13 34.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.167 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.721 ' CD2' ' CD2' ' A' ' 14' ' ' TYR . 22.9 p90 -119.88 137.66 53.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 72.7 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.823 -179.795 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.6 mmtt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.821 0.344 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.499 HD21 ' CE2' ' A' ' 47' ' ' TRP . 3.0 tt -92.39 129.98 38.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -120.27 160.01 23.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.499 ' CE2' HD21 ' A' ' 45' ' ' LEU . 73.0 m95 -138.49 155.3 48.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.938 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 31.0 p -144.08 161.2 39.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.41 HD22 ' CD2' ' A' ' 68' ' ' LEU . 11.1 mt -117.53 137.55 52.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 26.0 mtp180 -114.0 109.24 18.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.461 HG23 ' CZ3' ' A' ' 16' ' ' TRP . 44.4 t -111.8 142.18 24.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 30' ' ' GLU . 6.0 m120 -134.82 101.71 11.54 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.585 0.707 . . . . 0.0 110.904 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.469 ' HA ' ' CD2' ' A' ' 64' ' ' LEU . 53.8 Cg_endo -69.76 -12.22 32.45 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.637 2.225 . . . . 0.0 112.37 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.6 mtpt -114.91 11.85 16.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 59.01 176.38 0.78 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -81.11 -36.77 29.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.761 0.315 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.481 ' CG ' ' N ' ' A' ' 58' ' ' GLU . 14.5 t70 -147.57 171.6 15.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.843 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.481 ' N ' ' CG ' ' A' ' 57' ' ' ASP . 51.2 mt-10 -52.56 -16.46 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 60.0 tt0 -61.4 -61.03 2.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.866 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 27.5 t -106.77 41.37 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.865 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.9 ptmm? -75.23 -30.77 60.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.866 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -77.52 -34.85 53.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.522 ' CD1' ' HG2' ' A' ' 118' ' ' ARG . 8.1 m-85 -92.4 160.24 15.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.469 ' CD2' ' HA ' ' A' ' 53' ' ' PRO . 3.2 tm? -88.99 124.3 34.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.958 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.4 m -96.19 129.87 43.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.425 ' CD1' HG22 ' A' ' 51' ' ' VAL . 33.4 tp -138.39 131.24 29.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -134.82 152.44 51.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.542 ' CD1' ' C ' ' A' ' 68' ' ' LEU . 1.5 tm? -101.19 111.55 23.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.931 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.433 ' HG ' ' N ' ' A' ' 70' ' ' LEU . 8.7 tp -101.88 154.83 18.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 71' ' ' VAL . 39.9 tp -104.27 82.45 1.95 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.905 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.435 ' C ' ' O ' ' A' ' 70' ' ' LEU . 1.4 p -35.1 -57.87 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 12.2 t -155.51 152.12 28.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 16.8 p -142.13 144.88 33.44 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.655 0.74 . . . . 0.0 110.866 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.46 ' CD ' ' HG ' ' A' ' 45' ' ' LEU . 53.9 Cg_endo -69.74 -50.91 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.745 2.297 . . . . 0.0 112.324 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.7 pttm -90.9 164.7 13.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 20.4 m -42.7 -60.04 1.71 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -134.95 159.4 41.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.844 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.7 p -139.75 140.34 36.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.159 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 15.6 mtp180 -107.89 128.8 54.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.851 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.72 157.69 33.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.123 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 29.9 mttp -102.43 131.34 49.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -113.19 147.67 36.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.3 tmmm? -140.57 127.34 20.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.937 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -105.83 137.67 43.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 44.2 p -150.88 156.69 41.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 37.8 mt -114.96 127.22 72.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.101 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.3 mt -89.87 114.11 25.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.956 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.445 ' C ' ' OD1' ' A' ' 88' ' ' ASN . 33.2 p30 -64.71 -176.3 0.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.0 -36.3 60.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.077 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.442 ' N ' ' OD1' ' A' ' 88' ' ' ASN . 0.1 OUTLIER -86.66 21.39 2.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.913 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 55.21 31.12 56.21 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -102.68 134.98 45.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.805 0.335 . . . . 0.0 110.862 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -62.13 132.29 52.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.416 HG22 ' CD2' ' A' ' 129' ' ' LEU . 6.1 t -153.62 143.28 21.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.177 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.438 ' HG3' ' CD1' ' A' ' 117' ' ' ILE . 58.3 mmtt 60.22 50.13 6.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.928 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -99.96 161.47 13.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.11 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.501 ' HE3' ' CG ' ' A' ' 113' ' ' PHE . 15.4 mtm -133.6 130.62 38.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -106.25 168.39 9.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.843 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 9.2 t -113.82 160.23 18.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.95 -23.09 27.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.6 ttp-105 -164.47 168.84 17.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.14 165.07 25.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.099 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -125.22 154.37 41.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -70.98 103.48 2.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.489 ' CE1' HD13 ' A' ' 68' ' ' LEU . 17.1 m-85 -94.97 114.82 26.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.46 ' CG2' ' HB2' ' A' ' 109' ' ' LYS . 16.2 m -121.8 158.44 25.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.162 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -45.9 105.5 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 89.64 28.71 18.28 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.462 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.46 ' HB2' ' CG2' ' A' ' 106' ' ' VAL . 19.8 tptt -102.37 140.93 36.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.825 0.345 . . . . 0.0 110.853 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -123.47 124.33 42.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -138.64 124.93 20.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 178.68 -159.15 24.09 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.484 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.501 ' CG ' ' HE3' ' A' ' 97' ' ' MET . 21.9 m-85 -113.28 150.67 32.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.951 0.405 . . . . 0.0 110.85 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 29.8 tttt -76.78 -56.86 4.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 34.7 mttm -102.63 101.88 12.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -83.87 -51.0 7.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.556 HD11 ' CD2' ' A' ' 121' ' ' PHE . 3.0 tt -171.13 143.19 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.128 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.522 ' HG2' ' CD1' ' A' ' 63' ' ' TYR . 13.3 mtt180 -48.6 118.16 2.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 26.3 ttp85 -52.46 -39.22 60.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.4 -43.5 98.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.556 ' CD2' HD11 ' A' ' 117' ' ' ILE . 65.4 t80 -53.28 -21.61 5.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.479 ' CD1' ' O ' ' A' ' 118' ' ' ARG . 6.4 mp -82.03 -59.62 2.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.463 ' N ' HD23 ' A' ' 123' ' ' LEU . 2.6 mm? -59.57 -32.8 70.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.916 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -46.35 153.4 0.35 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.871 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -93.21 -33.17 14.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.832 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -41.73 -42.94 2.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.083 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' A' ' 121' ' ' PHE . 0.7 OUTLIER -88.47 -40.4 13.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 72.32 42.03 50.91 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.468 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.416 ' CD2' HG22 ' A' ' 94' ' ' THR . 69.8 mt -77.18 -25.12 51.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.842 0.353 . . . . 0.0 110.893 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 6.4 mt -127.01 79.26 73.22 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.613 0.72 . . . . 0.0 110.912 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -32.41 18.42 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.733 2.289 . . . . 0.0 112.301 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -113.87 27.28 9.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.83 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 57.7 36.6 26.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 8.3 ptpt -133.08 127.19 33.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 64.5 tp -90.9 114.36 26.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 58.3 m -96.07 95.04 7.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.151 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 7.9 mt -87.75 121.14 29.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -106.6 111.21 23.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 18.7 t -110.09 152.49 25.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.884 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -140.75 111.84 7.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 45.6 t -104.74 131.35 54.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -118.22 117.19 28.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 54.3 t -90.62 121.94 41.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 32.8 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 179.964 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.9 0.381 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 73.2 t -93.07 108.54 20.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.7 159.33 23.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -151.59 143.63 23.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.515 ' HB2' ' CE1' ' A' ' 138' ' ' PHE . 91.5 p -107.16 131.67 53.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -122.02 105.73 10.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.92 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.1 ttp -87.45 105.42 17.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.865 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.56 ' CZ3' HG21 ' A' ' 51' ' ' VAL . 8.0 t90 -105.15 112.33 25.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 35.7 m -101.81 132.34 47.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.163 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.408 HD13 ' CZ2' ' A' ' 16' ' ' TRP . 32.3 mt -111.2 101.45 12.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.612 ' H ' ' ND2' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -67.6 134.53 51.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.912 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 68.39 48.98 0.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -59.69 -33.85 72.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.6 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.794 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.876 0.369 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.8 p -129.03 154.74 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.127 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.3 mt -100.25 103.28 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.114 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.8 mtmt -84.23 131.74 34.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.548 ' HB3' ' CZ3' ' A' ' 16' ' ' TRP . 77.7 p -94.55 166.91 11.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.842 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.6 m -59.45 170.96 0.89 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.1 p -89.31 120.67 30.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.138 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 12.3 p90 -111.41 154.29 24.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 79.9 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.787 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.5 mmmt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.819 0.343 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.535 HD23 ' CE2' ' A' ' 47' ' ' TRP . 1.6 tt -63.43 126.95 29.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.943 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.3 mmtp -115.34 165.26 13.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.535 ' CE2' HD23 ' A' ' 45' ' ' LEU . 78.4 m95 -141.62 155.36 45.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.947 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 17.4 t -146.89 153.2 39.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 73.9 mt -113.18 131.93 55.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.949 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -105.83 105.8 16.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.56 HG21 ' CZ3' ' A' ' 16' ' ' TRP . 82.5 t -107.27 135.87 44.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.137 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.464 ' N ' HG11 ' A' ' 51' ' ' VAL . 65.7 m-80 -127.18 101.5 25.3 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.635 0.731 . . . . 0.0 110.868 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.47 ' HA ' ' CD2' ' A' ' 64' ' ' LEU . 53.8 Cg_endo -69.69 -47.25 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.656 2.237 . . . . 0.0 112.349 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.2 tttp -84.84 35.42 0.57 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 45.21 -167.68 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.441 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 15.7 mt -119.53 -51.35 2.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.798 0.333 . . . . 0.0 110.904 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 59' ' ' GLU . 0.7 OUTLIER -130.97 154.44 48.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.868 179.854 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -37.09 -30.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 57' ' ' ASP . 21.5 tp10 -55.11 -52.66 62.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 57.2 p -119.46 44.21 2.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.6 ptmm? -67.68 -38.86 84.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -99.61 36.06 1.86 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -142.27 149.19 39.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.47 ' CD2' ' HA ' ' A' ' 53' ' ' PRO . 2.0 tm? -88.69 124.93 34.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.2 t -105.79 122.75 46.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 36.5 tp -130.51 113.73 14.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.926 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.586 ' CD2' ' N ' ' A' ' 112' ' ' GLY . 25.8 m-85 -118.61 150.67 39.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.476 ' CD1' ' C ' ' A' ' 68' ' ' LEU . 0.9 OUTLIER -91.58 102.81 15.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.6 tp -96.21 137.99 34.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' ' 71' ' ' VAL . 24.9 tp -93.4 83.39 4.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.447 HG11 ' C ' ' A' ' 47' ' ' TRP . 0.2 OUTLIER -36.06 -61.51 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 179.818 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.403 ' N ' HG23 ' A' ' 71' ' ' VAL . 3.4 m -148.83 159.15 44.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 31.8 p -150.09 143.54 16.7 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.605 0.717 . . . . 0.0 110.869 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -48.95 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.64 2.227 . . . . 0.0 112.357 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.5 pttm -92.36 154.98 18.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 69.2 m -39.87 -59.06 1.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -128.75 154.15 46.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.412 ' CG1' HD23 ' A' ' 70' ' ' LEU . 3.6 p -141.59 142.77 28.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.093 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 27.7 mtp180 -110.53 135.2 51.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -160.16 159.86 32.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 47.7 mttt -104.56 121.48 43.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -109.41 144.66 37.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.838 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.401 ' HD2' ' C ' ' A' ' 83' ' ' LYS . 2.9 tmmm? -140.33 137.34 34.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -112.25 147.61 35.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 28.5 p -159.69 161.76 34.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 36.5 mt -125.32 128.22 72.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.115 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.9 mt -90.51 110.72 21.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.51 ' ND2' ' H ' ' A' ' 92' ' ' GLU . 0.8 OUTLIER -66.35 -173.99 0.24 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -52.29 -37.32 55.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -82.5 14.68 2.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.65 26.06 52.33 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.478 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.51 ' H ' ' ND2' ' A' ' 88' ' ' ASN . 23.1 mm-40 -102.3 134.06 46.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.829 0.347 . . . . 0.0 110.899 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -54.19 130.42 38.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.4 t -148.02 156.31 42.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 45.69 45.67 11.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.887 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -91.89 165.22 13.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.093 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.482 ' CE ' ' CG ' ' A' ' 113' ' ' PHE . 16.4 mtm -140.86 125.06 17.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -107.7 152.15 24.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 37.8 p -96.73 160.07 14.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 14.9 tm0? -67.37 -43.98 80.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 31.1 mtm180 -158.69 176.64 12.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.78 149.78 47.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -113.06 173.6 6.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -85.28 98.44 10.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -89.1 131.31 35.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.467 ' CG2' ' HB2' ' A' ' 109' ' ' LYS . 19.2 m -139.52 157.19 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.105 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -45.38 104.42 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.93 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 91.47 28.37 14.79 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.482 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.467 ' HB2' ' CG2' ' A' ' 106' ' ' VAL . 15.9 tptt -103.2 128.86 50.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.807 0.337 . . . . 0.0 110.944 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -113.85 124.64 52.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.444 ' CD1' ' HG3' ' A' ' 109' ' ' LYS . 89.9 m95 -137.07 118.12 14.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.969 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.586 ' N ' ' CD2' ' A' ' 67' ' ' TYR . . . -176.81 -152.87 10.16 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.49 ' O ' ' CE1' ' A' ' 67' ' ' TYR . 8.2 m-85 -123.77 151.39 43.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.95 0.405 . . . . 0.0 110.877 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 31.8 tttt -75.76 -56.89 4.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 62.7 mttt -100.3 92.83 5.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -82.25 -46.07 14.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.497 HG13 ' N ' ' A' ' 118' ' ' ARG . 7.2 tp -159.64 152.85 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.181 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.497 ' N ' HG13 ' A' ' 117' ' ' ILE . 11.2 mtt85 -74.16 108.64 7.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 31.7 ttt180 -40.68 -43.44 1.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -60.26 -41.31 92.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.593 ' CZ ' ' OD1' ' A' ' 127' ' ' ASN . 33.2 t80 -54.98 -44.97 74.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 6.2 mp -58.48 -62.0 2.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.931 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 7.3 mt -55.65 -36.14 66.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -42.19 145.31 0.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -82.01 -32.05 30.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -47.72 -42.74 25.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.095 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . 0.593 ' OD1' ' CZ ' ' A' ' 121' ' ' PHE . 15.3 m-80 -91.63 -43.21 9.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 65.71 31.63 80.5 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.475 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.468 HD11 ' N ' ' A' ' 129' ' ' LEU . 1.6 mp -57.13 -26.61 60.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.846 0.355 . . . . 0.0 110.887 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 6.6 mt -123.22 81.77 52.02 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.632 0.73 . . . . 0.0 110.948 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -31.42 20.48 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.625 2.217 . . . . 0.0 112.384 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -114.11 27.38 9.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 57.96 31.18 20.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 4.2 ptpt -130.61 131.45 44.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 59.5 tp -95.05 121.06 36.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 88.0 m -100.67 98.9 9.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.409 ' CD1' HG22 ' A' ' 51' ' ' VAL . 10.3 mt -89.54 116.0 27.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.948 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . 0.515 ' CE1' ' HB2' ' A' ' 13' ' ' SER . 4.5 t80 -103.17 102.4 12.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 32.0 t -105.08 145.14 30.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -128.61 115.21 17.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 65.0 t -105.64 134.58 46.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.164 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 16.1 m -124.71 110.63 14.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 59.6 t -86.9 125.11 40.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.167 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 35.3 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.101 179.924 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.9 p . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.862 0.363 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 89.7 t -100.17 112.35 32.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.89 164.39 17.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.433 ' CD1' ' N ' ' A' ' 12' ' ' PHE . 1.7 p90 -150.55 145.26 25.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.894 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.545 ' HB2' ' CE1' ' A' ' 138' ' ' PHE . 89.4 p -108.59 126.87 53.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.701 ' CD2' ' CD1' ' A' ' 37' ' ' PHE . 22.6 t80 -119.95 111.49 17.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 35.3 ttm -87.17 115.85 24.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.862 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.465 ' CZ3' HG22 ' A' ' 51' ' ' VAL . 12.8 t90 -116.99 107.7 14.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.918 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.2 m -98.53 124.15 43.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.112 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 33.7 mt -101.53 98.45 6.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.454 ' H ' ' ND2' ' A' ' 19' ' ' ASN . 0.5 OUTLIER -67.48 132.01 46.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 69.15 43.68 1.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.842 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -55.45 -35.34 65.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 72.4 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 -179.772 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.921 0.391 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.43 HG21 ' N ' ' A' ' 32' ' ' ILE . 10.0 p -144.65 145.48 21.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.082 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.43 ' N ' HG21 ' A' ' 31' ' ' VAL . 19.9 mt -93.61 120.48 43.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.22 130.63 47.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.8 p -93.68 170.82 9.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.48 -174.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 55.0 p -107.81 125.3 51.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.186 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.701 ' CD1' ' CD2' ' A' ' 14' ' ' TYR . 5.4 p90 -117.77 144.65 45.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 95.3 p . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 -179.815 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.811 0.339 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.6 tp -73.73 115.68 13.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.447 ' CB ' HG11 ' A' ' 71' ' ' VAL . 36.4 mmtm -114.18 161.28 18.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.403 ' C ' HG12 ' A' ' 71' ' ' VAL . 63.6 m95 -138.24 154.09 49.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.925 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 12.3 t -141.56 149.2 40.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 43.2 mt -105.28 136.41 44.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -111.66 109.39 19.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.465 HG22 ' CZ3' ' A' ' 16' ' ' TRP . 61.5 t -105.75 143.44 16.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.402 ' HA ' ' HD2' ' A' ' 53' ' ' PRO . 1.0 OUTLIER -134.68 102.83 11.25 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.606 0.717 . . . . 0.0 110.863 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 52' ' ' ASN . 53.3 Cg_endo -69.75 -46.34 1.27 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.693 2.262 . . . . 0.0 112.317 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.4 tttm -83.56 -13.75 53.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.99 148.55 4.32 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.464 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 31.8 mt -51.5 -46.39 63.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.781 0.324 . . . . 0.0 110.877 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -146.09 163.31 35.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -46.75 -21.77 0.23 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -51.59 -52.55 46.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -117.48 50.74 1.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.1 ptmm? -82.86 -36.05 25.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.952 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -62.01 -50.48 71.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.453 ' CD1' ' CG ' ' A' ' 115' ' ' LYS . 0.3 OUTLIER -95.73 166.58 11.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.947 -179.875 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.0 tp -89.03 142.54 27.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 28.6 t -109.21 102.95 11.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.805 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.465 ' CD2' ' CD1' ' A' ' 84' ' ' PHE . 34.3 tp -108.06 139.11 43.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.921 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.474 ' CD2' ' N ' ' A' ' 112' ' ' GLY . 37.7 m-85 -144.53 153.05 41.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 41.1 tp -97.83 105.26 17.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.93 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.8 tp -93.79 135.77 34.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.421 ' CD2' ' HB3' ' A' ' 73' ' ' CYS . 53.5 tp -89.47 87.0 6.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.945 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.447 HG11 ' CB ' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -40.84 -63.78 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.853 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.3 m -146.65 142.87 28.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.421 ' HB3' ' CD2' ' A' ' 70' ' ' LEU . 28.2 p -134.38 140.18 35.03 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.598 0.713 . . . . 0.0 110.93 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -36.27 11.07 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.682 2.255 . . . . 0.0 112.352 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.8 pttm -105.78 152.32 23.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.2 m -39.68 -57.25 1.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.826 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -128.97 155.83 44.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.4 p -145.35 136.96 20.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.104 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 22.6 mtt-85 -106.01 133.11 51.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -159.35 155.98 27.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.145 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 55.1 mttt -101.83 125.01 48.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -110.46 153.6 24.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.1 tmmm? -146.8 126.83 13.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.465 ' CD1' ' CD2' ' A' ' 66' ' ' LEU . 31.5 m-85 -103.76 153.37 20.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 62.7 p -165.71 160.01 16.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 18.3 mt -119.67 127.57 75.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.1 mt -90.99 109.8 21.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.947 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' A' ' 90' ' ' LYS . 26.1 p30 -57.66 -176.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.15 -32.43 64.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.071 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.453 ' N ' ' OD1' ' A' ' 88' ' ' ASN . 3.5 mptt -88.01 20.24 3.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.942 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 55.48 33.15 58.53 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.459 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -108.6 135.84 49.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.809 0.338 . . . . 0.0 110.846 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -57.29 137.66 55.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.7 t -161.6 143.47 11.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.125 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 42.2 mmtt 56.65 45.15 22.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -94.6 167.16 11.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.103 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.506 ' HE3' ' CG ' ' A' ' 113' ' ' PHE . 13.7 mtm -141.21 118.85 11.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -92.75 161.68 14.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.837 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 85.7 p -104.15 158.36 16.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -81.27 -72.4 0.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.93 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 5.9 mpt_? -122.45 156.33 34.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.95 144.72 57.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.071 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -107.97 165.41 11.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 18.7 ttm180 -85.42 103.46 14.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.855 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.573 ' CE1' ' HB2' ' A' ' 111' ' ' TRP . 44.8 m-85 -91.52 151.63 20.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.463 ' CG2' ' HB2' ' A' ' 109' ' ' LYS . 29.4 m -151.89 165.07 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.122 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -52.17 106.01 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 91.49 22.56 31.25 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.543 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.463 ' HB2' ' CG2' ' A' ' 106' ' ' VAL . 11.4 tptt -95.57 150.62 20.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.824 0.345 . . . . 0.0 110.89 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -135.05 121.24 20.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.573 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 81.9 m95 -137.07 128.8 28.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.474 ' N ' ' CD2' ' A' ' 67' ' ' TYR . . . 177.81 -142.07 5.46 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.521 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.506 ' CG ' ' HE3' ' A' ' 97' ' ' MET . 21.1 m-85 -127.23 151.24 48.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.915 0.388 . . . . 0.0 110.87 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 34.0 tttt -81.75 -56.43 4.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.453 ' CG ' ' CD1' ' A' ' 63' ' ' TYR . 0.3 OUTLIER -96.34 94.88 7.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.882 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -83.38 -50.79 7.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.857 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.436 HG22 ' CD2' ' A' ' 122' ' ' LEU . 4.1 tt -170.82 148.59 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 19.9 mtm180 -60.69 114.21 2.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.471 ' HA ' ' CD1' ' A' ' 122' ' ' LEU . 20.6 ttt180 -52.98 -39.17 62.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.01 -26.5 66.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.489 ' CD2' HD12 ' A' ' 129' ' ' LEU . 71.5 t80 -77.76 -39.35 44.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.471 ' CD1' ' HA ' ' A' ' 119' ' ' ARG . 9.1 mt -58.46 -48.57 80.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.95 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.448 HD12 ' N ' ' A' ' 123' ' ' LEU . 6.2 mp -70.1 -41.83 73.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 123' ' ' LEU . 1.4 t70 -37.91 152.51 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -92.21 -31.76 15.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -40.5 -48.1 2.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.086 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . 0.444 ' HB3' ' CZ ' ' A' ' 121' ' ' PHE . 2.1 p30 -84.95 -38.56 19.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 71.38 34.26 63.92 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.453 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.489 HD12 ' CD2' ' A' ' 121' ' ' PHE . 69.9 mt -68.17 -18.19 64.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.857 0.36 . . . . 0.0 110.908 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 12.5 mt -134.61 80.68 50.0 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.61 0.719 . . . . 0.0 110.949 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -17.69 37.56 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.664 2.243 . . . . 0.0 112.331 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -130.47 28.37 4.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 56.39 31.31 18.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 8.4 ptpt -127.31 122.69 34.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.831 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 47.1 tp -90.57 117.1 28.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.914 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 85.0 m -95.89 96.88 9.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 11.7 mt -87.71 111.06 20.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . 0.545 ' CE1' ' HB2' ' A' ' 13' ' ' SER . 6.7 t80 -98.56 106.33 18.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 38.1 t -110.67 154.15 24.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -139.77 117.24 11.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 46.4 t -103.19 131.78 50.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.132 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 21.1 m -117.65 110.55 18.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.82 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 89.3 t -83.82 121.76 36.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.158 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 27.9 m . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.115 179.977 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.9 p . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.844 0.354 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 76.8 t -91.32 101.01 12.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.95 165.66 12.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -153.45 142.96 21.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.843 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.559 ' HB2' ' CE1' ' A' ' 138' ' ' PHE . 61.6 p -107.38 130.92 54.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.549 ' CD2' ' CD2' ' A' ' 37' ' ' PHE . 27.8 t80 -125.94 111.66 15.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 31.6 ttm -88.88 118.02 28.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 8.6 t90 -118.52 99.47 6.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 52.2 m -89.73 112.91 24.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 47.6 mt -87.8 98.92 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.118 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.92 131.52 45.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 73.87 45.96 0.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -54.2 -40.02 67.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.6 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.765 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.924 0.392 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 12.7 p -149.31 142.23 17.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.068 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 18.4 mt -95.05 103.17 14.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.137 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.3 mtmm -88.1 113.9 24.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 85.3 p -73.46 166.03 23.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.81 -174.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.892 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 44.9 p -95.18 137.31 34.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.155 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.549 ' CD2' ' CD2' ' A' ' 14' ' ' TYR . 19.6 p90 -132.86 145.33 50.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 93.1 p . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.764 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.5 mmmm . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.816 0.341 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 46.1 tp -72.85 127.54 32.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.933 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.45 ' CB ' HG12 ' A' ' 71' ' ' VAL . 17.0 mmtp -126.09 159.5 32.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.406 ' C ' HG13 ' A' ' 71' ' ' VAL . 74.6 m95 -142.05 151.81 42.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.943 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 32.1 p -138.22 167.28 22.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 19.3 mt -121.16 135.68 55.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 24.2 mtp180 -114.11 108.7 17.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.456 HG21 ' CD1' ' A' ' 137' ' ' LEU . 10.1 t -108.49 138.34 35.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -125.67 101.75 29.83 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.652 0.739 . . . . 0.0 110.846 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.447 ' HA ' ' CD2' ' A' ' 64' ' ' LEU . 54.5 Cg_endo -69.71 -5.41 16.1 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.712 2.275 . . . . 0.0 112.384 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.4 mttp -129.5 8.13 5.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 65.15 -174.17 17.15 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.477 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -88.0 -35.75 17.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.803 0.335 . . . . 0.0 110.902 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.492 ' CG ' ' N ' ' A' ' 58' ' ' GLU . 14.6 t70 -144.32 171.57 14.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.492 ' N ' ' CG ' ' A' ' 57' ' ' ASP . 70.3 mt-10 -50.8 -17.57 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -63.61 -62.96 1.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.93 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 34.3 t -101.11 39.9 1.35 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.855 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.5 ptmm? -78.54 -33.79 47.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.521 ' OD1' ' CD2' ' A' ' 63' ' ' TYR . 0.5 OUTLIER -76.18 -35.65 59.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 179.847 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.521 ' CD2' ' OD1' ' A' ' 62' ' ' ASP . 8.1 m-85 -90.71 162.57 14.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.447 ' CD2' ' HA ' ' A' ' 53' ' ' PRO . 3.2 tm? -95.24 128.13 41.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.978 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.0 t -104.05 123.17 46.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.509 ' CD2' ' CD1' ' A' ' 84' ' ' PHE . 3.1 tp -129.9 113.59 14.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.956 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -112.4 165.67 11.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.919 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.449 ' CD2' ' HB3' ' A' ' 82' ' ' PHE . 28.0 tp -115.02 100.29 8.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.899 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.415 ' CD1' ' O ' ' A' ' 109' ' ' LYS . 6.1 tp -92.39 147.38 22.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 71' ' ' VAL . 43.5 tp -95.29 83.0 3.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.45 HG12 ' CB ' ' A' ' 46' ' ' LYS . 0.6 OUTLIER -35.61 -64.57 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.153 179.861 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.4 m -145.57 148.94 33.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 28.5 p -140.35 143.18 32.27 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.626 0.727 . . . . 0.0 110.854 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -50.72 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.644 2.229 . . . . 0.0 112.382 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 76' ' ' SER . 13.9 pttm -93.5 157.19 16.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 75' ' ' LYS . 47.9 m -37.3 -73.5 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.441 ' CB ' HG13 ' A' ' 106' ' ' VAL . 9.7 pt-20 -119.55 152.5 36.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.7 p -140.92 135.81 33.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.114 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 22.3 mtt180 -99.01 135.94 39.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -161.35 161.36 30.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.075 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 28.3 mttp -101.87 171.89 7.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.449 ' HB3' ' CD2' ' A' ' 68' ' ' LEU . 26.0 p90 -152.01 141.8 21.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -142.21 115.9 9.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.509 ' CD1' ' CD2' ' A' ' 66' ' ' LEU . 36.7 m-85 -98.03 146.64 25.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.417 ' CB ' ' HB1' ' A' ' 96' ' ' ALA . 31.6 p -158.46 156.43 30.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.48 HD12 ' CE2' ' A' ' 116' ' ' PHE . 24.3 mt -116.39 135.55 56.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.16 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 mt -100.46 106.69 18.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.582 ' ND2' ' H ' ' A' ' 92' ' ' GLU . 0.6 OUTLIER -57.56 -174.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 179.921 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.81 -33.14 64.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.481 ' N ' ' HE2' ' A' ' 90' ' ' LYS . 0.6 OUTLIER -80.17 2.42 24.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 70.72 17.67 75.21 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.473 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.582 ' H ' ' ND2' ' A' ' 88' ' ' ASN . 18.3 mm-40 -97.26 144.49 27.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.802 0.334 . . . . 0.0 110.921 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -60.31 136.61 58.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.448 HG23 ' CD2' ' A' ' 129' ' ' LEU . 5.1 t -155.57 140.84 17.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 25.4 mmtt 55.1 50.35 15.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.417 ' HB1' ' CB ' ' A' ' 85' ' ' SER . . . -98.03 165.85 11.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.064 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.546 ' HE2' ' CD2' ' A' ' 113' ' ' PHE . 11.3 mtm -139.95 129.16 23.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -97.55 157.63 15.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.407 ' HG ' ' N ' ' A' ' 100' ' ' GLN . 44.6 t -94.26 151.95 19.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.821 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.407 ' N ' ' HG ' ' A' ' 99' ' ' SER . 43.2 tt0 -72.19 -63.88 1.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.936 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.475 ' O ' ' CE1' ' A' ' 103' ' ' TYR . 6.6 tpt180 -147.48 140.48 25.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -40.96 152.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.475 ' CE1' ' O ' ' A' ' 101' ' ' ARG . 52.1 m-85 -124.88 172.5 9.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.919 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 26.3 ttp180 -80.19 112.89 17.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.531 ' CZ ' ' HB2' ' A' ' 111' ' ' TRP . 23.9 m-85 -108.65 110.3 21.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.441 HG13 ' CB ' ' A' ' 77' ' ' GLU . 1.7 m -120.4 160.3 21.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.19 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -47.69 99.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 104.25 26.96 6.37 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.449 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.415 ' O ' ' CD1' ' A' ' 69' ' ' LEU . 21.6 tptt -110.52 160.24 16.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.788 0.328 . . . . 0.0 110.879 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' A' ' 68' ' ' LEU . 8.4 t0 -148.63 134.47 18.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.531 ' HB2' ' CZ ' ' A' ' 105' ' ' PHE . 94.6 m95 -145.61 129.21 17.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -177.6 -133.38 1.84 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.473 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.546 ' CD2' ' HE2' ' A' ' 97' ' ' MET . 76.0 m-85 -133.31 149.65 51.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.877 0.37 . . . . 0.0 110.891 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 38.2 tttt -79.09 -52.43 8.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.47 ' HG2' ' CD2' ' A' ' 63' ' ' TYR . 56.9 mttt -112.03 101.39 9.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.48 ' CE2' HD12 ' A' ' 86' ' ' ILE . 14.9 t80 -81.17 -51.68 8.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.836 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.499 HD13 ' CD1' ' A' ' 121' ' ' PHE . 3.6 tt -169.87 148.9 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.116 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 36.8 mtt-85 -57.71 112.06 1.34 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 7.4 ttt-85 -48.32 -39.3 21.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -58.3 -31.3 67.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.552 ' CZ ' ' CG ' ' A' ' 127' ' ' ASN . 61.3 t80 -70.38 -32.58 70.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.408 ' C ' HD13 ' A' ' 130' ' ' LEU . 11.7 mt -67.58 -58.27 4.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 124' ' ' ASP . 6.2 mp -60.31 -44.48 95.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 123' ' ' LEU . 4.4 m-20 -35.9 151.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -91.32 -34.94 14.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -38.82 -45.01 1.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . 0.552 ' CG ' ' CZ ' ' A' ' 121' ' ' PHE . 13.5 m-80 -86.27 -42.42 13.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 75.45 33.56 52.52 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.501 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.464 HD11 ' CD1' ' A' ' 121' ' ' PHE . 50.1 mt -69.51 -21.91 63.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.797 0.332 . . . . 0.0 110.877 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.408 HD13 ' C ' ' A' ' 122' ' ' LEU . 4.8 mt -130.61 79.91 71.11 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.623 0.725 . . . . 0.0 110.912 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -25.74 28.48 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.697 2.265 . . . . 0.0 112.37 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -120.6 26.7 8.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 60.37 31.31 20.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 6.5 ptpt -128.51 129.87 46.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 28.3 tp -96.06 105.35 17.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 84.4 m -82.16 99.31 9.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.456 ' CD1' HG21 ' A' ' 51' ' ' VAL . 11.2 mt -92.37 116.38 28.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . 0.559 ' CE1' ' HB2' ' A' ' 13' ' ' SER . 4.7 t80 -105.84 103.01 12.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 37.3 t -105.36 154.7 19.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -140.38 119.29 12.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 48.8 t -109.43 139.02 34.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 4.2 p -122.17 115.76 22.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 72.2 t -92.77 118.98 39.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.167 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 29.3 m . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.956 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.878 0.37 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.1 t -86.89 106.37 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.48 154.08 31.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -149.54 144.27 26.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.519 ' HB2' ' CE1' ' A' ' 138' ' ' PHE . 69.3 p -110.34 149.16 30.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -142.52 113.41 7.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.941 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 33.2 ttm -86.61 119.4 26.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.558 ' CE2' ' CG1' ' A' ' 18' ' ' ILE . 9.5 t90 -113.42 98.82 7.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 49.1 m -93.73 104.58 16.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.558 ' CG1' ' CE2' ' A' ' 16' ' ' TRP . 36.2 mt -87.27 98.15 7.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.179 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.539 ' H ' ' ND2' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -60.19 127.48 32.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 133' ' ' ASP . 21.5 t30 64.42 54.89 1.45 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -57.74 -12.1 2.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 -179.802 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.431 ' O ' ' ND2' ' A' ' 52' ' ' ASN . 8.9 mm-40 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.848 0.356 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.489 ' CG2' ' OD1' ' A' ' 52' ' ' ASN . 9.3 p -135.86 150.88 28.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 31.4 mt -102.31 105.94 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.119 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.8 mttm -90.54 122.88 33.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 59.0 p -86.48 169.46 12.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.836 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 59.1 m -57.48 161.9 3.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 77.7 p -81.24 121.65 26.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.113 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 18.7 p90 -118.5 145.0 45.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.3 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 -179.809 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.788 0.328 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.447 HD22 ' NE1' ' A' ' 47' ' ' TRP . 2.9 tt -70.56 125.01 25.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.461 ' CB ' HG12 ' A' ' 71' ' ' VAL . 60.7 mmtt -112.21 161.88 16.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.447 ' NE1' HD22 ' A' ' 45' ' ' LEU . 71.0 m95 -139.68 148.42 42.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.867 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 24.6 p -138.23 149.12 45.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.405 HD11 ' CB ' ' A' ' 139' ' ' CYS . 11.1 mt -106.52 138.09 43.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 64.3 mtp180 -115.71 114.75 25.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.1 t -117.96 134.86 60.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.173 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.489 ' OD1' ' CG2' ' A' ' 31' ' ' VAL . 4.2 m120 -124.99 102.06 31.7 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.61 0.719 . . . . 0.0 110.916 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.487 ' HA ' ' CD2' ' A' ' 64' ' ' LEU . 54.4 Cg_endo -69.71 -23.93 30.45 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.688 2.258 . . . . 0.0 112.369 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.0 ttmt -104.52 13.88 30.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 55.79 173.04 0.13 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.458 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 18.9 mt -88.99 -35.89 16.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.812 0.339 . . . . 0.0 110.942 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -130.54 173.15 11.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -68.73 -7.41 33.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -76.93 -56.34 4.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 59.5 p -104.13 38.88 1.75 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.4 ptmm? -80.23 -30.87 38.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.434 ' OD1' ' C ' ' A' ' 62' ' ' ASP . 5.2 t0 -74.81 -37.43 62.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.85 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -89.09 166.36 13.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.487 ' CD2' ' HA ' ' A' ' 53' ' ' PRO . 1.3 tm? -89.95 131.57 35.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.938 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.7 t -103.86 115.84 31.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.519 HD23 ' CD1' ' A' ' 84' ' ' PHE . 12.7 tp -124.75 126.75 46.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -131.21 157.72 42.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.955 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.525 ' CD1' ' C ' ' A' ' 68' ' ' LEU . 0.7 OUTLIER -104.77 111.05 23.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.936 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.7 tp -104.38 148.75 26.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.951 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 41.4 tp -99.82 85.56 3.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.461 HG12 ' CB ' ' A' ' 46' ' ' LYS . 0.3 OUTLIER -38.02 -66.11 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.101 179.87 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.9 m -146.02 147.67 31.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.82 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 26.1 p -137.97 145.99 50.39 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.615 0.722 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -48.08 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.762 2.308 . . . . 0.0 112.316 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.8 pttm -95.34 169.14 10.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.934 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 66.7 m -48.91 -68.63 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -124.0 155.72 37.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.886 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.5 p -142.36 140.24 29.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 22.3 mtp180 -103.25 133.88 47.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -160.63 159.12 30.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 71.1 mttt -107.61 130.08 54.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -113.09 149.02 34.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.3 tmmm? -141.77 141.93 33.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.519 ' CD1' HD23 ' A' ' 66' ' ' LEU . 22.5 m-85 -118.67 140.49 49.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.446 ' CB ' ' HB3' ' A' ' 96' ' ' ALA . 39.1 p -156.02 148.25 23.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.836 -179.776 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 24.3 mt -106.43 132.43 53.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.148 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.8 mt -101.81 108.99 20.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.942 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.507 ' ND2' ' HG2' ' A' ' 92' ' ' GLU . 38.3 p30 -60.23 -177.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.86 -19.37 41.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.092 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.451 ' HD2' ' N ' ' A' ' 90' ' ' LYS . 4.3 mptt -95.42 11.74 31.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 58.97 30.56 66.78 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.476 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.507 ' HG2' ' ND2' ' A' ' 88' ' ' ASN . 4.1 pt-20 -103.64 133.23 49.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.866 0.365 . . . . 0.0 110.861 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -61.75 122.64 15.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.3 t -144.79 154.41 42.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 34.2 mmtt 48.64 46.98 21.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.446 ' HB3' ' CB ' ' A' ' 85' ' ' SER . . . -99.66 151.28 21.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.096 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 19.5 mtm -127.6 119.71 26.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -93.4 160.66 14.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 28.8 p -108.44 155.31 20.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -76.58 -66.69 0.78 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -124.54 168.67 12.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.2 158.41 29.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.077 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -117.45 167.49 11.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.406 ' NH1' ' HB3' ' A' ' 104' ' ' ARG . 14.7 ttm105 -78.87 105.77 10.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -96.35 120.25 36.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 19.4 m -132.74 149.27 31.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.139 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -42.08 97.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 106.76 23.12 7.29 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.484 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.454 ' HG3' ' CD1' ' A' ' 111' ' ' TRP . 17.8 tptt -104.91 141.02 37.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.747 0.308 . . . . 0.0 110.943 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -128.67 121.45 28.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.454 ' CD1' ' HG3' ' A' ' 109' ' ' LYS . 93.1 m95 -135.75 132.24 36.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 176.26 -152.5 12.83 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.521 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -117.32 152.09 35.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.936 0.398 . . . . 0.0 110.863 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 34.0 tttt -80.08 -54.85 5.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.933 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 45.9 mttt -104.44 96.92 6.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.882 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -80.09 -52.47 7.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.414 HG12 ' CD1' ' A' ' 122' ' ' LEU . 2.2 tt -169.18 146.54 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.146 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 17.0 mtt85 -59.2 115.81 3.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 33.4 mtp180 -48.06 -43.39 30.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -49.22 -40.4 33.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.475 ' CD2' ' ND2' ' A' ' 127' ' ' ASN . 10.6 t80 -62.91 -33.12 74.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.929 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.414 ' CD1' HG12 ' A' ' 117' ' ' ILE . 6.7 mp -70.7 -56.49 6.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.918 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -70.99 0.46 7.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -77.45 119.75 21.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -68.19 -34.53 76.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -51.58 -30.0 19.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.051 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . 0.475 ' ND2' ' CD2' ' A' ' 121' ' ' PHE . 57.4 m-20 -89.07 -34.46 16.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . 0.401 ' O ' ' N ' ' A' ' 130' ' ' LEU . . . 82.3 -5.72 71.35 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.457 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 31.2 mt -39.49 -29.5 0.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.841 0.353 . . . . 0.0 110.896 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 128' ' ' GLY . 13.5 mt -130.45 87.13 51.27 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.61 0.719 . . . . 0.0 110.908 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -25.01 29.15 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.645 2.23 . . . . 0.0 112.378 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -134.46 26.75 3.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 20' ' ' ASN . 4.2 m-20 65.98 36.62 5.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.879 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -122.73 120.72 34.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 68.5 tp -92.63 100.85 13.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 97.1 m -85.91 95.43 9.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.128 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 10.9 mt -89.98 110.4 21.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . 0.519 ' CE1' ' HB2' ' A' ' 13' ' ' SER . 7.9 t80 -92.42 108.2 19.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.953 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' CYS . . . . . 0.405 ' CB ' HD11 ' A' ' 49' ' ' LEU . 48.9 t -108.4 145.21 34.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -131.32 125.79 33.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 45.3 t -114.53 134.92 56.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.111 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 2.9 m -125.28 112.31 16.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.842 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 96.4 t -86.86 121.4 37.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.145 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 28.0 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.16 179.914 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.5 p . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.861 0.363 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 84.3 t -100.77 113.39 36.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.077 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.66 151.2 39.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.4 p90 -137.68 146.39 43.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.46 ' HB2' ' CE1' ' A' ' 138' ' ' PHE . 88.9 p -110.42 128.48 55.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.686 ' CD2' ' CD1' ' A' ' 37' ' ' PHE . 38.5 t80 -125.65 108.0 11.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.939 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 26.6 ttm -87.73 121.13 29.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.884 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.526 ' CZ3' HG21 ' A' ' 51' ' ' VAL . 11.4 t90 -116.79 101.49 8.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 98.8 m -92.47 121.54 34.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.18 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 34.3 mt -100.37 98.77 7.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.185 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.441 ' O ' ' CG ' ' A' ' 20' ' ' ASN . 0.4 OUTLIER -58.9 148.06 31.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.441 ' CG ' ' O ' ' A' ' 19' ' ' ASN . 21.0 p30 47.16 46.87 16.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -57.33 -25.99 60.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 40.7 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 -179.79 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.867 0.365 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.468 HG23 ' N ' ' A' ' 32' ' ' ILE . 12.6 p -135.72 145.21 31.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.129 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.468 ' N ' HG23 ' A' ' 31' ' ' VAL . 60.1 mt -96.5 105.94 17.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.107 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.7 mtmm -89.27 125.72 35.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.437 ' HB3' ' CE3' ' A' ' 16' ' ' TRP . 36.5 p -83.63 173.88 11.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.9 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 77.6 p -60.2 169.93 1.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 44.7 p -93.16 125.81 37.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.098 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.686 ' CD1' ' CD2' ' A' ' 14' ' ' TYR . 9.0 p90 -121.67 148.65 44.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.5 p . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 -179.785 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.808 0.337 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.8 tp -62.81 121.8 14.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.437 ' CB ' HG12 ' A' ' 71' ' ' VAL . 68.9 mmtt -111.89 168.88 9.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.927 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.41 ' C ' HG13 ' A' ' 71' ' ' VAL . 77.8 m95 -148.04 149.95 33.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 21.4 p -142.12 144.32 33.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.859 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 14.4 mt -103.79 133.79 48.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 20.0 mtt180 -107.72 106.18 16.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.83 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.526 HG21 ' CZ3' ' A' ' 16' ' ' TRP . 52.4 t -106.97 143.6 17.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -134.13 102.63 11.95 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.643 0.735 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.408 ' HA ' ' CD1' ' A' ' 64' ' ' LEU . 53.7 Cg_endo -69.72 -30.86 21.79 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.714 2.276 . . . . 0.0 112.364 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.7 ttmm -100.6 31.96 3.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 43.1 -161.06 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 21.7 mt -121.42 -44.62 2.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.812 0.339 . . . . 0.0 110.915 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -135.02 163.31 30.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -52.07 -19.51 1.94 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -69.67 -46.31 66.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 92.1 p -120.95 46.26 2.07 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.9 ptmm? -88.29 -33.62 17.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.599 ' OD1' ' CD2' ' A' ' 63' ' ' TYR . 0.5 OUTLIER -69.69 -42.51 73.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 179.893 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.599 ' CD2' ' OD1' ' A' ' 62' ' ' ASP . 1.0 OUTLIER -91.09 168.46 11.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 -179.838 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.408 ' CD1' ' HA ' ' A' ' 53' ' ' PRO . 4.0 tp -89.63 150.14 22.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.92 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 9.3 t -114.41 102.76 10.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.455 HD21 ' CG ' ' A' ' 84' ' ' PHE . 57.2 tp -108.8 133.68 52.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -143.05 142.76 31.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 56.4 tp -97.44 102.74 14.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.2 tp -94.48 138.23 32.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 71' ' ' VAL . 28.4 tp -86.86 83.36 7.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.437 HG12 ' CB ' ' A' ' 46' ' ' LYS . 0.6 OUTLIER -36.86 -64.71 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.176 179.815 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.3 t -147.53 144.77 28.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 29.8 p -134.39 142.98 44.91 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.599 0.714 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -37.07 9.65 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.701 2.268 . . . . 0.0 112.343 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.1 pttm -107.97 155.74 19.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 73.9 m -38.55 -71.44 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.81 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -117.34 154.3 31.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.3 p -141.75 130.85 23.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.153 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 33.0 mtp85 -99.24 133.02 44.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -160.7 161.37 32.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.098 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 61.5 mttm -104.5 133.51 49.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.942 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -114.83 145.42 42.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.411 ' CG ' ' HG2' ' A' ' 98' ' ' GLU . 5.1 tmmm? -144.57 124.2 13.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.455 ' CG ' HD21 ' A' ' 66' ' ' LEU . 22.2 m-85 -103.64 147.91 26.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 91.3 p -158.88 158.04 32.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.481 HD13 ' CE2' ' A' ' 116' ' ' PHE . 23.3 mt -120.17 132.68 69.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.089 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.6 mt -94.49 106.73 18.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.556 ' ND2' ' H ' ' A' ' 92' ' ' GLU . 0.5 OUTLIER -60.31 -174.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.899 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.83 -35.43 61.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.09 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.05 15.59 2.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.72 23.93 46.19 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.513 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.556 ' H ' ' ND2' ' A' ' 88' ' ' ASN . 21.3 mt-10 -104.3 137.34 42.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.839 0.352 . . . . 0.0 110.893 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -54.26 140.86 31.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.9 t -160.32 143.95 13.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.564 ' HE3' ' CZ ' ' A' ' 121' ' ' PHE . 28.4 mmtt 55.97 45.7 23.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -90.66 158.54 16.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.058 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.41 ' HE3' ' CG ' ' A' ' 113' ' ' PHE . 13.0 mtm -133.55 115.11 14.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.411 ' HG2' ' CG ' ' A' ' 83' ' ' LYS . 22.2 mt-10 -91.25 169.7 10.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.916 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 45.2 t -115.01 151.28 34.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.827 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -59.36 -56.33 23.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 56.9 mtt180 -150.78 175.46 11.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.9 155.26 36.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.114 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -121.94 169.17 11.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.945 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 5.8 ttp-105 -83.8 101.86 11.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -95.3 123.9 39.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.423 ' CG2' ' HB2' ' A' ' 109' ' ' LYS . 19.7 m -128.3 161.18 37.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.161 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -49.71 107.93 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 91.12 23.14 30.5 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.501 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.423 ' HB2' ' CG2' ' A' ' 106' ' ' VAL . 9.0 tptt -98.34 146.98 25.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.816 0.341 . . . . 0.0 110.846 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -130.51 127.61 39.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 88.6 m95 -142.0 132.96 25.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.961 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 173.25 -145.6 8.45 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.498 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.41 ' CG ' ' HE3' ' A' ' 97' ' ' MET . 7.0 m-85 -127.69 152.4 47.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.879 0.371 . . . . 0.0 110.897 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 23.5 tttp -79.62 -56.45 4.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.462 ' HG2' ' CD2' ' A' ' 63' ' ' TYR . 0.2 OUTLIER -98.34 99.94 11.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.921 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.481 ' CE2' HD13 ' A' ' 86' ' ' ILE . 14.4 t80 -86.45 -50.82 6.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.51 HG13 ' N ' ' A' ' 118' ' ' ARG . 5.4 tp -167.26 151.3 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.51 ' N ' HG13 ' A' ' 117' ' ' ILE . 15.8 mtm180 -67.34 110.43 3.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.467 ' HA ' ' CD1' ' A' ' 122' ' ' LEU . 19.0 ttp85 -42.66 -42.12 3.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.62 -35.97 75.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.564 ' CZ ' ' HE3' ' A' ' 95' ' ' LYS . 57.3 t80 -66.79 -26.33 66.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.467 ' CD1' ' HA ' ' A' ' 119' ' ' ARG . 13.7 mt -72.4 -46.89 53.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.898 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.471 ' N ' HD21 ' A' ' 123' ' ' LEU . 3.1 mm? -74.64 -38.81 62.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.454 ' C ' ' O ' ' A' ' 123' ' ' LEU . 28.6 m-20 -33.78 139.33 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -77.77 -33.39 52.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -47.66 -44.62 27.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.082 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . 0.457 ' ND2' ' CD2' ' A' ' 121' ' ' PHE . 22.2 m-80 -88.57 -46.42 9.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 71.45 40.46 59.94 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.504 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.554 HD21 ' CE1' ' A' ' 121' ' ' PHE . 2.7 mm? -61.54 -24.0 66.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.87 0.367 . . . . 0.0 110.939 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.2 mt -126.91 86.77 58.09 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.638 0.733 . . . . 0.0 110.902 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -30.87 21.52 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.712 2.274 . . . . 0.0 112.323 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -120.42 27.87 8.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.829 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 61.73 25.35 15.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 1.5 ptpt -123.88 124.35 42.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 31.8 tp -88.75 115.75 26.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.938 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 62.9 m -97.82 102.08 13.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.091 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 5.2 mt -96.45 116.26 28.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . 0.46 ' CE1' ' HB2' ' A' ' 13' ' ' SER . 5.9 t80 -102.6 110.15 21.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 49.4 t -112.26 151.88 29.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -134.9 120.14 18.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 48.0 t -111.06 122.04 64.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.181 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 19.3 m -108.25 110.15 21.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 59.7 t -83.9 124.78 39.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 21.8 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.117 179.939 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.9 0.381 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 82.4 t -100.59 103.49 14.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.099 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.82 162.46 17.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.831 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 13.8 p90 -154.88 144.0 21.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 78.5 p -109.99 125.85 53.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.56 ' HB2' ' CD2' ' A' ' 37' ' ' PHE . 45.3 t80 -115.04 110.91 20.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 31.6 ttm -85.57 117.71 24.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.878 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.48 ' CZ2' HD13 ' A' ' 18' ' ' ILE . 7.8 t90 -112.37 101.31 9.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.944 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 96.0 m -98.24 112.49 24.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.147 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.48 HD13 ' CZ2' ' A' ' 16' ' ' TRP . 29.4 mt -95.94 99.74 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.56 ' H ' ' ND2' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -61.56 138.59 58.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 133' ' ' ASP . 74.9 m-80 56.75 51.54 10.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -54.71 -14.15 1.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.0 t . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.814 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.879 0.371 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.418 HG22 ' N ' ' A' ' 32' ' ' ILE . 14.4 p -156.06 141.65 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.418 ' N ' HG22 ' A' ' 31' ' ' VAL . 46.4 mt -89.01 104.93 15.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.151 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.8 mtmt -90.89 111.76 23.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.2 p -74.06 171.12 14.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.872 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.4 m -59.21 -176.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 20.3 p -99.15 127.84 45.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.135 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.56 ' CD2' ' HB2' ' A' ' 14' ' ' TYR . 30.5 p90 -131.0 141.58 50.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.859 -179.852 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.825 0.345 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.509 HD23 ' CE2' ' A' ' 47' ' ' TRP . 3.0 tt -74.48 137.54 42.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.445 ' CB ' HG12 ' A' ' 71' ' ' VAL . 31.9 mmtm -127.55 166.54 17.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.509 ' CE2' HD23 ' A' ' 45' ' ' LEU . 72.6 m95 -145.36 139.74 27.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 24.7 p -128.71 165.45 20.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.93 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 20.5 mt -121.3 132.12 54.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 47.7 mtt180 -109.38 106.07 15.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.454 ' CG2' ' HG ' ' A' ' 66' ' ' LEU . 42.9 t -107.68 132.7 54.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.089 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -121.13 101.82 44.16 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.583 0.706 . . . . 0.0 110.861 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.509 ' HA ' ' CD2' ' A' ' 64' ' ' LEU . 54.2 Cg_endo -69.73 -19.53 36.16 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.73 2.287 . . . . 0.0 112.318 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.1 mttt -106.89 -4.14 19.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 72.94 150.08 1.22 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 81.5 mt -61.97 -59.78 4.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.845 0.355 . . . . 0.0 110.911 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -117.28 169.91 9.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -57.37 -13.49 3.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -64.01 -49.16 73.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 84.8 p -116.32 45.91 1.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.83 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.9 ptmm? -77.71 -31.55 52.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.941 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -87.23 -13.29 44.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -107.63 164.93 11.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.509 ' CD2' ' HA ' ' A' ' 53' ' ' PRO . 2.2 tm? -94.77 125.23 39.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 t -99.92 113.25 25.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.454 ' HG ' ' CG2' ' A' ' 51' ' ' VAL . 4.2 tt -125.83 113.9 17.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.944 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -118.5 161.39 20.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -104.65 100.91 10.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.965 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.3 tp -94.97 143.13 26.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.849 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.469 ' CD2' ' HB3' ' A' ' 73' ' ' CYS . 60.0 tp -92.23 89.92 7.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.878 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.445 HG12 ' CB ' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -42.78 -66.45 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.858 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 40.6 t -143.81 141.59 30.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.469 ' HB3' ' CD2' ' A' ' 70' ' ' LEU . 5.2 p -143.09 129.28 10.38 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.565 0.698 . . . . 0.0 110.876 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -43.71 2.52 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.688 2.259 . . . . 0.0 112.373 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.455 ' O ' ' C ' ' A' ' 76' ' ' SER . 1.1 pttt -81.69 144.53 31.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 75' ' ' LYS . 36.1 m -33.98 -52.64 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.827 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.469 ' CG ' ' HD2' ' A' ' 104' ' ' ARG . 7.7 pt-20 -137.74 175.75 9.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.838 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.424 ' O ' ' N ' ' A' ' 105' ' ' PHE . 1.9 t -148.27 129.77 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.106 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.6 mtt-85 -107.6 108.99 20.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -142.25 173.84 11.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.1 mttm -119.19 127.05 52.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.595 ' CD1' ' CZ ' ' A' ' 84' ' ' PHE . 53.0 p90 -107.55 146.56 31.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.7 tmmm? -139.32 123.1 17.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.955 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.595 ' CZ ' ' CD1' ' A' ' 82' ' ' PHE . 6.7 m-85 -107.32 138.25 43.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.423 ' OG ' ' CB ' ' A' ' 96' ' ' ALA . 1.4 t -150.51 179.34 8.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 -179.722 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 17.1 mt -138.03 134.17 44.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.132 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.0 mt -93.48 107.43 19.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.914 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.417 ' OD1' ' N ' ' A' ' 90' ' ' LYS . 42.3 p30 -62.04 -176.51 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.92 -27.31 51.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.162 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.447 ' HD2' ' N ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -91.33 13.72 16.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.15 32.16 59.73 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.491 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -109.88 121.33 44.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.782 0.325 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -42.98 135.58 3.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.8 t -151.23 148.31 28.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.512 ' HE2' ' CE2' ' A' ' 121' ' ' PHE . 32.0 mmtm 55.12 41.41 31.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.423 ' CB ' ' OG ' ' A' ' 85' ' ' SER . . . -84.26 154.33 23.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 7.6 mtm -143.68 114.71 7.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -111.9 170.86 7.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 6.7 t -116.13 141.82 47.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.849 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -56.78 -68.69 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -101.64 170.27 8.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -79.67 163.74 24.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -121.02 153.65 37.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.469 ' HD2' ' CG ' ' A' ' 77' ' ' GLU . 7.6 tpp180 -74.42 130.47 39.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.886 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.424 ' N ' ' O ' ' A' ' 78' ' ' VAL . 23.4 m-85 -120.3 136.12 54.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.491 ' O ' ' N ' ' A' ' 108' ' ' GLY . 17.5 m -142.87 144.59 24.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.123 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -38.85 92.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 106' ' ' VAL . . . 111.59 21.38 6.5 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.424 ' HB2' ' CG2' ' A' ' 106' ' ' VAL . 26.3 tptt -106.21 145.67 31.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.775 0.321 . . . . 0.0 110.911 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -135.91 125.34 24.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -132.68 135.71 45.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.487 ' HA2' ' CZ ' ' A' ' 82' ' ' PHE . . . 172.11 -149.34 11.67 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.47 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -123.18 155.02 37.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.913 0.387 . . . . 0.0 110.892 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 26.9 tttt -81.92 -55.28 4.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 40.5 mttt -101.37 93.56 5.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.902 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -81.92 -48.62 11.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.489 HG13 ' N ' ' A' ' 118' ' ' ARG . 8.0 tp -163.73 152.58 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.172 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.489 ' N ' HG13 ' A' ' 117' ' ' ILE . 26.5 mtm180 -72.92 112.13 8.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 14.7 ttp180 -48.13 -35.64 11.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.94 -33.27 75.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.512 ' CE2' ' HE2' ' A' ' 95' ' ' LYS . 83.5 t80 -66.87 -35.33 79.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.477 ' CD1' HG23 ' A' ' 117' ' ' ILE . 5.9 mp -65.9 -67.61 0.43 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.6 mt -51.45 -18.28 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -49.2 161.11 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -98.46 -33.85 10.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -56.07 -38.51 70.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.126 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . 0.462 ' HB2' ' CD2' ' A' ' 129' ' ' LEU . 12.0 m-20 -92.27 -38.45 12.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 61.87 43.53 99.08 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.503 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.462 ' CD2' ' HB2' ' A' ' 127' ' ' ASN . 1.9 mm? -61.81 -12.9 19.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.807 0.337 . . . . 0.0 110.92 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.7 mt -133.79 89.21 30.81 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.578 0.704 . . . . 0.0 110.904 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -34.37 14.51 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.681 2.254 . . . . 0.0 112.331 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -120.7 26.5 9.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 20' ' ' ASN . 5.6 m-20 65.13 32.41 10.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 4.6 ptpt -127.77 138.77 52.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.423 HD11 ' CD2' ' A' ' 122' ' ' LEU . 50.2 tp -101.07 95.9 6.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.934 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 90.2 m -78.66 96.4 5.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.15 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.433 HD21 ' CD1' ' A' ' 66' ' ' LEU . 13.2 mt -89.99 112.27 23.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -97.94 105.36 17.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 49.7 t -103.68 147.13 27.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -135.76 113.48 10.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 15.6 t -110.15 135.17 50.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 19.9 m -122.67 107.41 11.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.854 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 93.5 t -84.39 128.82 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . 0.437 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 12.8 m . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.169 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.522 ' CG2' ' N ' ' A' ' 10' ' ' VAL . 2.7 p . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.857 0.361 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.522 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 55.9 t -120.66 97.6 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.097 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.48 ' HG2' ' CB ' ' A' ' 142' ' ' SER . 11.4 mtmt -104.03 170.79 7.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.551 ' CZ ' ' HB ' ' A' ' 141' ' ' VAL . 25.9 p90 -169.32 133.69 1.41 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 89.1 p -109.01 141.17 41.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -131.15 110.01 10.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 33.8 ttm -85.95 117.73 24.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.88 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.541 ' CE2' ' CG1' ' A' ' 18' ' ' ILE . 8.6 t90 -115.93 98.7 6.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.954 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 99.1 m -91.43 107.69 19.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.17 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.541 ' CG1' ' CE2' ' A' ' 16' ' ' TRP . 21.5 mt -87.73 99.51 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.089 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.484 ' H ' ' ND2' ' A' ' 19' ' ' ASN . 0.3 OUTLIER -65.88 130.42 43.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.855 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.436 ' N ' ' OD1' ' A' ' 20' ' ' ASN . 0.4 OUTLIER 67.5 52.13 0.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.451 ' CE1' ' HB3' ' A' ' 53' ' ' PRO . 54.5 t80 -69.12 -44.11 73.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.9 t . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 -179.81 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.94 0.4 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.437 HG22 ' ND2' ' A' ' 52' ' ' ASN . 15.0 p -123.72 141.94 42.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.131 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 85.1 mt -92.25 101.87 13.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.5 mttm -84.56 116.62 23.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 83.4 p -76.23 169.25 18.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.829 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.7 m -60.79 170.97 1.29 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.868 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 73.0 p -86.39 123.99 32.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.183 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -116.33 156.11 27.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.5 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.841 -179.792 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.793 0.33 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.534 HD21 ' CE2' ' A' ' 47' ' ' TRP . 1.7 tt -71.33 120.64 17.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.486 ' CB ' HG11 ' A' ' 71' ' ' VAL . 36.5 mmtm -115.44 162.0 17.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.534 ' CE2' HD21 ' A' ' 45' ' ' LEU . 77.2 m95 -139.12 157.4 46.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.954 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.9 p -143.03 148.93 37.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.6 mt -107.72 132.64 53.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 40.1 mtp180 -111.04 103.72 12.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.464 HG23 ' CZ3' ' A' ' 16' ' ' TRP . 61.3 t -107.29 135.89 44.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.437 ' ND2' HG22 ' A' ' 31' ' ' VAL . 65.8 m-80 -122.06 102.2 40.86 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.63 0.729 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.451 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 53.8 Cg_endo -69.7 -15.88 37.54 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.717 2.278 . . . . 0.0 112.321 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.7 mttm -116.25 25.32 10.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.914 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 50.11 -156.97 2.01 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.481 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.4 mt -125.12 -44.94 1.88 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.782 0.325 . . . . 0.0 110.91 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.453 ' OD2' ' CE ' ' A' ' 114' ' ' LYS . 0.1 OUTLIER -127.64 161.43 28.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.831 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -48.42 -30.94 5.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.937 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -62.71 -60.96 2.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.4 ' CB ' ' HD3' ' A' ' 115' ' ' LYS . 92.5 p -93.03 39.88 1.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.888 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.408 ' CG ' ' N ' ' A' ' 62' ' ' ASP . 13.5 ptmt -85.88 -43.71 13.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.408 ' N ' ' CG ' ' A' ' 61' ' ' LYS . 14.7 t0 -66.42 -23.83 66.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.837 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.559 ' CE2' ' HG3' ' A' ' 118' ' ' ARG . 2.3 m-85 -106.5 167.29 9.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.425 ' CD1' ' HA ' ' A' ' 53' ' ' PRO . 4.3 tp -90.57 141.08 29.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.916 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.3 t -109.16 99.3 8.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.641 ' CD2' ' CZ ' ' A' ' 84' ' ' PHE . 6.5 tt -108.45 139.14 43.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.914 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.452 ' N ' HD23 ' A' ' 66' ' ' LEU . 41.7 m-85 -143.77 144.63 31.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.457 ' CD2' ' HB3' ' A' ' 82' ' ' PHE . 20.9 tp -98.52 109.71 22.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.928 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.408 ' HG ' ' N ' ' A' ' 70' ' ' LEU . 6.0 tp -100.36 148.19 24.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.937 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.419 HD23 ' C ' ' A' ' 105' ' ' PHE . 53.9 tp -95.46 88.12 4.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.486 HG11 ' CB ' ' A' ' 46' ' ' LYS . 0.8 OUTLIER -43.27 -61.67 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.81 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.4 m -144.94 150.98 37.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 16.7 p -151.66 136.99 10.77 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.617 0.722 . . . . 0.0 110.88 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -51.14 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.719 2.279 . . . . 0.0 112.299 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 76' ' ' SER . 15.0 pttm -83.35 149.48 26.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 75' ' ' LYS . 33.3 t -34.12 -54.61 0.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -134.74 170.88 15.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.901 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.414 ' N ' ' O ' ' A' ' 105' ' ' PHE . 2.3 t -139.39 131.24 35.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -106.42 109.11 20.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -146.4 158.87 43.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.137 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 56.1 mttt -106.7 121.87 45.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.938 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.457 ' HB3' ' CD2' ' A' ' 68' ' ' LEU . 53.8 p90 -105.94 153.54 21.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.861 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.34 126.17 14.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.641 ' CZ ' ' CD2' ' A' ' 66' ' ' LEU . 21.8 m-85 -99.46 145.27 27.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.434 ' CB ' ' HB2' ' A' ' 96' ' ' ALA . 89.0 p -158.99 154.9 26.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 43.7 mt -114.82 130.31 69.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.162 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.4 mt -94.16 108.02 19.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.449 ' C ' ' OD1' ' A' ' 88' ' ' ASN . 25.1 p30 -56.4 179.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -52.02 -33.18 37.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.079 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.435 ' HD2' ' N ' ' A' ' 90' ' ' LYS . 1.1 mptp? -85.4 17.84 2.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 55.85 23.73 38.83 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.53 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -97.9 139.84 33.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.874 0.369 . . . . 0.0 110.859 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -60.55 136.9 58.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.9 t -162.58 137.52 6.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.161 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.557 ' HE3' ' CE2' ' A' ' 121' ' ' PHE . 23.4 mmtt 63.7 48.7 3.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.434 ' HB2' ' CB ' ' A' ' 85' ' ' SER . . . -101.06 144.41 30.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.074 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.437 ' CE ' ' CG ' ' A' ' 113' ' ' PHE . 9.0 mtm -117.19 125.07 50.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -96.46 164.02 12.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.1 t -113.83 152.88 30.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -62.48 -66.41 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 24.6 mtp180 -137.72 176.51 8.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.7 158.12 25.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.098 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -123.64 165.4 17.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.462 ' CZ ' HG12 ' A' ' 106' ' ' VAL . 61.0 ttt-85 -80.99 121.62 26.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.419 ' C ' HD23 ' A' ' 70' ' ' LEU . 7.9 m-85 -113.11 120.96 43.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.847 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.462 HG12 ' CZ ' ' A' ' 104' ' ' ARG . 15.9 m -130.93 143.49 40.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.146 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -39.91 95.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 106' ' ' VAL . . . 109.8 23.89 6.02 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.488 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 17.9 tptt -106.64 153.27 22.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.749 0.309 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -139.45 125.05 19.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -137.24 127.92 27.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.972 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -175.58 -143.95 4.82 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.502 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.437 ' CG ' ' CE ' ' A' ' 97' ' ' MET . 15.1 m-85 -133.0 151.37 52.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.944 0.402 . . . . 0.0 110.854 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.453 ' CE ' ' OD2' ' A' ' 57' ' ' ASP . 21.9 tttp -78.78 -53.84 6.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.851 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.4 ' HD3' ' CB ' ' A' ' 60' ' ' SER . 12.2 mmtp -101.88 96.4 7.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.446 ' CD2' HG22 ' A' ' 117' ' ' ILE . 27.6 t80 -85.05 -49.21 8.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.446 HG22 ' CD2' ' A' ' 116' ' ' PHE . 1.0 OUTLIER -171.41 144.09 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.559 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 62.6 mtt180 -57.49 110.9 0.95 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 19.8 ttp180 -45.43 -36.25 4.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -57.36 -42.92 82.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.557 ' CE2' ' HE3' ' A' ' 95' ' ' LYS . 46.0 t80 -54.1 -41.12 67.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 8.9 mp -58.95 -61.96 2.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.948 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.475 ' CD1' ' N ' ' A' ' 123' ' ' LEU . 3.2 mp -60.84 -32.23 71.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -39.62 149.24 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.836 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -93.12 -38.14 11.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -47.25 -35.35 7.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.047 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . 0.55 ' CG ' ' CZ ' ' A' ' 121' ' ' PHE . 60.8 m-80 -95.05 -45.07 7.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 71.7 47.58 32.76 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.461 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.54 ' CD2' ' CB ' ' A' ' 127' ' ' ASN . 4.0 mm? -68.09 -17.88 64.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.861 0.363 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.0 mt -134.41 95.52 16.23 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.576 0.703 . . . . 0.0 110.917 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -32.73 18.23 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.699 2.266 . . . . 0.0 112.321 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -128.6 28.23 5.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 20' ' ' ASN . 36.0 m-20 67.62 26.82 7.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -110.11 119.6 39.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.475 HD13 ' CD1' ' A' ' 137' ' ' LEU . 2.1 tm? -88.23 101.02 13.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.921 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 29.0 m -90.89 96.63 10.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.475 ' CD1' HD13 ' A' ' 135' ' ' LEU . 5.0 mt -94.34 110.63 22.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.936 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -94.17 116.82 29.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 51.4 t -114.55 150.55 34.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -136.01 117.66 14.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . 0.551 ' HB ' ' CZ ' ' A' ' 12' ' ' PHE . 31.5 t -113.37 136.59 49.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.086 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' SER . . . . . 0.48 ' CB ' ' HG2' ' A' ' 11' ' ' LYS . 1.2 m -118.78 105.2 11.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.83 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 54.9 t -84.41 127.76 39.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . 0.43 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 9.4 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.109 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.903 0.382 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 56.4 t -112.78 107.69 23.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.22 153.75 35.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -142.24 143.98 33.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.547 ' HB2' ' CZ ' ' A' ' 138' ' ' PHE . 90.3 p -108.12 133.05 52.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.837 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -127.26 109.44 11.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.907 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 31.7 ttm -85.47 118.46 25.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.516 ' CZ3' HG22 ' A' ' 51' ' ' VAL . 10.2 t90 -112.27 101.37 9.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.4 m -95.2 118.1 31.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.165 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.433 HD12 ' CZ2' ' A' ' 16' ' ' TRP . 31.4 mt -101.73 100.25 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.6 ' H ' ' ND2' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -63.88 136.05 57.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.845 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 56.24 43.65 26.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -51.02 -16.84 0.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 84.0 p . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 -179.775 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.927 0.394 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.408 ' CG2' ' ND2' ' A' ' 52' ' ' ASN . 6.2 p -132.94 168.36 24.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.122 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 56.8 mt -117.73 103.59 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.104 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.5 mtmm -89.01 125.12 34.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 99.1 p -89.17 175.43 7.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.7 m -63.0 -175.27 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.826 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 31.7 p -107.38 128.75 54.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.148 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.414 ' CD1' ' N ' ' A' ' 37' ' ' PHE . 4.9 p90 -128.7 150.62 50.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 67.6 p . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 -179.799 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.2 mmtt . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.783 0.325 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.444 ' HB2' ' CD ' ' A' ' 74' ' ' PRO . 13.8 tp -61.23 124.7 21.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.924 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.411 ' CB ' HG12 ' A' ' 71' ' ' VAL . 34.1 mmtm -122.41 165.79 15.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 54.2 m95 -143.62 150.7 39.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.6 t -140.78 153.23 45.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 34.4 mt -111.09 143.57 41.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 36.0 mtp85 -116.49 110.39 18.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.516 HG22 ' CZ3' ' A' ' 16' ' ' TRP . 55.7 t -106.42 136.4 41.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.408 ' ND2' ' CG2' ' A' ' 31' ' ' VAL . 2.0 m120 -130.17 102.49 17.26 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.648 0.737 . . . . 0.0 110.862 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -38.12 8.18 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.69 2.26 . . . . 0.0 112.318 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.5 ttmm -88.02 -8.7 55.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 73.45 157.38 4.4 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.494 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.3 mt -69.47 -52.61 24.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.796 0.332 . . . . 0.0 110.896 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -130.91 171.03 13.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.7 mp0 -53.66 -17.5 2.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.415 ' CG ' ' HD3' ' A' ' 114' ' ' LYS . 5.2 tp10 -63.64 -41.07 98.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.44 ' HB3' ' CG ' ' A' ' 114' ' ' LYS . 8.9 p -119.28 47.85 1.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.878 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.6 ptmm? -85.58 -37.27 19.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -78.25 -34.06 49.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.412 ' CE2' ' HG3' ' A' ' 118' ' ' ARG . 1.4 m-85 -102.56 166.82 10.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.7 tp -89.48 153.9 20.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.9 t -117.15 99.35 6.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 17.9 tp -105.16 120.01 40.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.939 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -130.59 145.54 51.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 51.7 tp -99.76 110.11 22.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.1 tp -100.87 139.75 36.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.474 ' CD2' ' HB3' ' A' ' 73' ' ' CYS . 28.8 tp -88.34 86.01 6.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.948 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.411 HG12 ' CB ' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -41.27 -63.98 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 179.902 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 41.0 t -145.12 142.15 29.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.474 ' HB3' ' CD2' ' A' ' 70' ' ' LEU . 11.1 p -138.13 135.64 18.73 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.59 0.71 . . . . 0.0 110.904 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.444 ' CD ' ' HB2' ' A' ' 45' ' ' LEU . 53.4 Cg_endo -69.78 -44.0 2.31 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.673 2.249 . . . . 0.0 112.344 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 76' ' ' SER . 3.1 pttt -90.43 149.22 22.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 75' ' ' LYS . 3.3 m -34.86 -54.42 0.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.795 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -136.05 168.18 19.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.0 t -140.04 130.15 29.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.107 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -107.98 108.63 19.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -144.29 160.69 40.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.097 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -106.93 128.27 54.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -110.15 153.74 24.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.912 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.413 ' HD2' ' C ' ' A' ' 83' ' ' LYS . 4.9 tmmm? -145.87 125.73 13.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -101.02 140.63 35.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.907 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.419 ' CB ' ' HB1' ' A' ' 96' ' ' ALA . 89.8 p -155.54 149.55 25.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 24.0 mt -109.73 134.51 51.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.0 mt -98.12 106.94 19.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 48.1 p30 -57.82 -175.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.61 -32.24 65.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.12 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -86.15 16.34 4.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 58.42 25.81 58.43 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.467 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -100.5 143.9 30.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.854 0.359 . . . . 0.0 110.891 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -64.98 133.66 52.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.975 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.3 t -153.92 147.9 25.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.457 ' HE2' ' CE2' ' A' ' 121' ' ' PHE . 33.9 mmtt 49.84 49.26 20.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.419 ' HB1' ' CB ' ' A' ' 85' ' ' SER . . . -102.68 153.54 20.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.074 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.412 ' HE1' ' CG ' ' A' ' 113' ' ' PHE . 16.8 mtm -125.9 129.13 48.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -98.84 166.9 11.08 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.4 t -112.92 155.89 23.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 14.0 mp0 -76.15 -65.3 0.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.943 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 42.4 mtm180 -131.36 169.71 15.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.23 153.45 41.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.095 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -117.76 162.97 17.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 19.9 ttm180 -79.3 124.73 28.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.425 ' C ' HD22 ' A' ' 70' ' ' LEU . 39.3 m-85 -113.4 125.93 54.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.938 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.499 ' O ' ' N ' ' A' ' 108' ' ' GLY . 11.3 m -134.47 142.4 40.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.168 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 106' ' ' VAL . 9.7 tt0 -36.14 93.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 106' ' ' VAL . . . 112.97 21.29 6.03 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.528 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 23.1 tptt -105.38 150.68 25.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.749 0.309 . . . . 0.0 110.932 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -140.65 120.29 13.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 82.1 m95 -130.2 128.56 41.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -179.25 -146.88 6.94 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.501 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.412 ' CG ' ' HE1' ' A' ' 97' ' ' MET . 34.9 m-85 -126.89 149.41 49.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.923 0.392 . . . . 0.0 110.896 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.44 ' CG ' ' HB3' ' A' ' 60' ' ' SER . 12.8 ttmt -79.22 -52.88 7.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 65.4 mttt -100.96 99.87 10.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.542 ' CD2' HG22 ' A' ' 117' ' ' ILE . 14.5 t80 -85.47 -57.43 3.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.542 HG22 ' CD2' ' A' ' 116' ' ' PHE . 1.1 tt -166.83 145.51 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.14 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.431 ' N ' HG13 ' A' ' 117' ' ' ILE . 16.8 mtm180 -54.68 120.25 6.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 7.2 ttt-85 -57.33 -32.35 66.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -66.62 -25.83 66.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.457 ' CE2' ' HE2' ' A' ' 95' ' ' LYS . 44.8 t80 -72.44 -34.95 68.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.447 ' CD1' HG12 ' A' ' 117' ' ' ILE . 7.1 mp -69.16 -59.29 3.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.966 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 7.8 mt -59.52 -19.74 50.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -53.59 160.99 1.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -102.7 -33.72 9.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -45.28 -41.17 8.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.054 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -89.57 -42.36 11.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 78.9 15.83 80.02 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.466 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -43.19 -25.49 0.12 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.824 0.345 . . . . 0.0 110.924 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.5 mt -126.43 82.07 66.8 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.608 0.718 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -26.01 28.14 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.697 2.265 . . . . 0.0 112.343 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -124.13 25.21 7.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 62.95 30.19 16.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 8.7 ptpt -130.51 124.24 31.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 12.3 tp -91.13 123.04 34.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 54.1 m -101.38 103.97 14.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.107 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 13.4 mt -94.65 112.97 24.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.94 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . 0.547 ' CZ ' ' HB2' ' A' ' 13' ' ' SER . 19.0 t80 -98.2 108.95 21.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 43.8 t -109.08 139.47 43.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -125.61 117.0 22.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 18.9 t -112.39 128.0 69.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.103 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 16.1 m -113.49 110.9 21.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 51.4 t -84.07 129.1 38.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . 0.502 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 22.6 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.139 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.8 p . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.9 0.381 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 83.4 t -100.55 106.34 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.112 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.3 160.06 26.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -146.23 145.06 30.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.847 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.465 ' HB2' ' CE1' ' A' ' 138' ' ' PHE . 96.3 p -109.33 127.3 54.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.818 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -122.33 111.17 16.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.914 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 34.3 ttm -87.86 116.85 26.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.881 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.611 ' CE2' ' CG1' ' A' ' 18' ' ' ILE . 7.2 t90 -110.98 103.47 11.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 94.9 m -92.23 107.63 19.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.183 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.611 ' CG1' ' CE2' ' A' ' 16' ' ' TRP . 43.7 mt -90.87 98.11 7.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.122 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.451 ' O ' ' CG ' ' A' ' 20' ' ' ASN . 0.5 OUTLIER -63.16 146.29 53.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.924 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.451 ' CG ' ' O ' ' A' ' 19' ' ' ASN . 19.8 p30 46.66 50.37 13.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.563 ' CE1' ' HB3' ' A' ' 53' ' ' PRO . 29.6 t80 -58.54 -20.48 46.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.431 ' HB2' ' CD2' ' A' ' 123' ' ' LEU . 27.2 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.81 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.863 0.363 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.2 p -140.93 153.02 20.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.158 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 92.3 mt -92.84 104.13 15.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.092 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.6 mtmt -87.31 129.87 34.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.446 ' HB3' ' CZ3' ' A' ' 16' ' ' TRP . 91.5 p -93.14 176.2 6.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.832 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.1 m -67.22 169.7 8.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 44.7 p -89.73 121.63 32.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.174 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -117.09 152.97 33.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 78.5 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.825 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.8 mptt . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.837 0.351 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.475 ' HB2' ' CD ' ' A' ' 74' ' ' PRO . 16.3 tp -69.32 116.79 10.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.409 ' CB ' HG12 ' A' ' 71' ' ' VAL . 17.5 mmtp -114.33 163.97 14.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.41 ' C ' HG13 ' A' ' 71' ' ' VAL . 58.4 m95 -141.28 154.89 45.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 26.9 t -143.62 151.1 39.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 56.2 mt -107.64 136.19 47.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 55.5 mtp180 -111.01 105.81 14.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.458 HG11 ' N ' ' A' ' 52' ' ' ASN . 55.3 t -106.7 134.19 49.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.163 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.458 ' N ' HG11 ' A' ' 51' ' ' VAL . 1.2 m120 -126.65 101.98 26.38 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.632 0.729 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.563 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 53.9 Cg_endo -69.78 -33.59 16.24 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.7 2.266 . . . . 0.0 112.342 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.3 mttm -91.81 -14.54 29.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.82 161.87 21.06 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.527 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.0 mt -72.99 -51.63 17.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.814 0.34 . . . . 0.0 110.931 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -130.28 167.04 19.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -53.31 -16.53 1.35 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 54.7 tt0 -69.51 -44.95 70.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.8 t -118.72 40.81 3.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -90.56 -38.99 12.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.938 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -67.64 -34.19 76.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.561 ' CD2' ' HG2' ' A' ' 115' ' ' LYS . 14.3 m-85 -95.59 168.74 10.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.464 ' CD2' ' HA ' ' A' ' 53' ' ' PRO . 2.0 tm? -93.35 123.06 36.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 t -95.63 122.02 37.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.814 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.7 tp -129.55 114.08 15.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.537 ' CE2' ' O ' ' A' ' 113' ' ' PHE . 35.0 m-85 -125.51 140.15 53.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 29.6 tp -90.96 114.39 26.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.1 tp -102.68 140.13 37.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 20.2 tp -88.41 86.32 7.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.944 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.41 HG13 ' C ' ' A' ' 47' ' ' TRP . 0.2 OUTLIER -41.52 -63.42 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.861 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.4 t -147.55 149.05 31.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.901 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 25.8 p -141.02 141.76 25.14 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.617 0.722 . . . . 0.0 110.93 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.475 ' CD ' ' HB2' ' A' ' 45' ' ' LEU . 54.1 Cg_endo -69.75 -37.13 9.62 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.681 2.254 . . . . 0.0 112.379 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 12.7 pttm -107.08 153.9 21.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 33.0 m -39.92 -71.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.856 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -113.58 153.45 28.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.7 p -144.87 135.4 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.9 mtp180 -102.44 133.94 46.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -160.32 152.15 20.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.092 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 63.2 mttt -101.84 131.17 48.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.425 ' CZ ' ' HA2' ' A' ' 112' ' ' GLY . 52.9 p90 -113.75 148.99 35.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.409 ' CG ' ' HG2' ' A' ' 98' ' ' GLU . 1.0 OUTLIER -142.33 118.15 10.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.87 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -98.02 143.68 28.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.838 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 80.8 p -156.27 162.6 40.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.546 HD12 ' CE2' ' A' ' 116' ' ' PHE . 26.6 mt -123.06 130.71 74.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.145 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.3 mt -94.44 110.28 22.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.456 ' OD1' ' N ' ' A' ' 90' ' ' LYS . 28.8 p30 -61.21 -176.86 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -54.75 -30.67 57.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.123 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.456 ' N ' ' OD1' ' A' ' 88' ' ' ASN . 1.7 mppt? -90.1 19.25 5.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 57.05 27.49 57.28 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -101.08 137.25 39.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.833 0.349 . . . . 0.0 110.916 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -62.93 134.24 55.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 8.8 t -152.86 147.72 26.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.147 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.415 ' HE2' ' CE2' ' A' ' 121' ' ' PHE . 30.4 mmtm 50.83 52.44 14.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.869 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -101.01 160.41 14.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.09 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.565 ' HE1' ' CD2' ' A' ' 113' ' ' PHE . 5.8 ptp -129.45 140.79 51.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.957 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.409 ' HG2' ' CG ' ' A' ' 83' ' ' LYS . 20.8 mt-10 -119.38 149.13 42.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.91 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.6 t -94.19 153.57 18.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -78.6 -56.76 4.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.884 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 21.4 tpt180 -138.66 137.82 37.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.884 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -47.74 146.19 2.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.065 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -106.35 166.63 10.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 31.0 ttp180 -81.45 100.38 9.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -90.41 137.74 32.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.406 ' CG2' ' HB2' ' A' ' 109' ' ' LYS . 11.9 m -142.22 157.46 19.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.156 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -46.94 106.27 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 92.41 25.93 19.67 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.476 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.406 ' HB2' ' CG2' ' A' ' 106' ' ' VAL . 17.7 tptt -102.67 151.24 22.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.815 0.34 . . . . 0.0 110.92 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -133.73 125.0 27.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 82.0 m95 -141.49 131.45 24.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.425 ' HA2' ' CZ ' ' A' ' 82' ' ' PHE . . . 173.83 -141.09 5.83 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.46 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.565 ' CD2' ' HE1' ' A' ' 97' ' ' MET . 2.3 m-85 -121.17 162.21 20.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.898 0.38 . . . . 0.0 110.898 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 50.9 tttt -93.61 -49.65 5.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.561 ' HG2' ' CD2' ' A' ' 63' ' ' TYR . 7.4 mptt -111.52 96.3 6.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.546 ' CE2' HD12 ' A' ' 86' ' ' ILE . 12.0 t80 -78.34 -49.93 12.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 3.9 tt -174.08 145.37 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.151 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.411 ' O ' ' CD1' ' A' ' 122' ' ' LEU . 44.8 mtt180 -51.81 131.09 30.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.848 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 -61.87 -32.24 72.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.99 -32.32 69.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.852 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.593 ' CZ ' ' OD1' ' A' ' 127' ' ' ASN . 54.2 t80 -65.37 -19.68 66.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.411 ' CD1' ' O ' ' A' ' 118' ' ' ARG . 5.7 mp -85.51 -56.13 3.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.431 ' CD2' ' HB2' ' A' ' 22' ' ' SER . 4.7 mt -65.18 -23.96 67.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -54.39 155.96 3.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -91.62 -38.46 12.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -40.59 -46.12 2.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.102 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . 0.593 ' OD1' ' CZ ' ' A' ' 121' ' ' PHE . 20.5 m-80 -81.99 -44.74 16.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 72.6 34.21 60.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.496 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 56.5 mt -68.86 -22.86 64.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.881 0.372 . . . . 0.0 110.946 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.3 mt -129.33 79.56 73.88 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.648 0.737 . . . . 0.0 110.936 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -18.39 37.24 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.692 2.261 . . . . 0.0 112.354 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -129.18 27.07 5.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 59.5 28.58 18.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -125.62 127.73 46.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 29.7 tp -93.54 119.54 32.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 41.9 m -98.88 98.66 9.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.085 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.442 ' CD1' HG23 ' A' ' 51' ' ' VAL . 11.0 mt -91.47 111.57 23.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . 0.465 ' CE1' ' HB2' ' A' ' 13' ' ' SER . 7.3 t80 -99.69 102.29 13.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 36.9 t -106.71 147.83 29.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.886 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -132.04 115.53 15.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 59.2 t -104.59 130.15 55.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.118 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 13.8 m -120.82 114.58 21.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 64.0 t -86.24 125.19 40.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.13 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 19.6 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.135 179.924 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.9 p . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.88 0.372 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 86.5 t -102.59 107.91 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.1 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.22 158.19 28.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 17.2 p90 -144.36 147.56 33.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.859 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.436 ' HB2' ' CE1' ' A' ' 138' ' ' PHE . 81.7 p -107.79 130.13 55.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -125.78 110.6 13.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.94 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 34.3 ttm -87.7 114.03 23.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.875 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.423 ' CZ3' HG21 ' A' ' 51' ' ' VAL . 8.2 t90 -110.02 98.6 7.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 98.6 m -87.49 122.83 31.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 39.7 mt -101.14 101.93 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.177 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.03 132.45 45.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.484 ' N ' ' OD1' ' A' ' 20' ' ' ASN . 0.5 OUTLIER 69.21 51.16 0.53 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.502 ' CZ ' ' HB3' ' A' ' 53' ' ' PRO . 90.7 t80 -66.58 -46.17 76.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.8 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.836 -179.811 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.946 0.403 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.9 p -124.05 153.89 30.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.137 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 35.7 mt -108.41 102.82 14.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.11 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 55.3 mttt -84.99 134.87 34.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.408 ' HB3' ' CZ3' ' A' ' 16' ' ' TRP . 84.9 p -97.33 172.14 7.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.86 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 m -67.89 168.79 10.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 76.5 p -86.83 120.65 28.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -119.34 149.64 41.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.7 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.843 -179.772 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.5 mptt . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.811 0.339 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.48 HD23 ' NE1' ' A' ' 47' ' ' TRP . 2.6 tt -71.43 129.11 37.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.902 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.483 ' CB ' HG13 ' A' ' 71' ' ' VAL . 39.1 mmtm -122.72 160.6 25.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.48 ' NE1' HD23 ' A' ' 45' ' ' LEU . 57.5 m95 -137.73 152.6 49.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 34.7 t -137.47 147.62 45.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 18.9 mt -113.98 125.07 53.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.485 ' CZ ' ' HB2' ' A' ' 69' ' ' LEU . 15.8 mtm180 -103.26 116.38 32.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.423 HG21 ' CZ3' ' A' ' 16' ' ' TRP . 74.8 t -112.45 135.34 52.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.093 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -129.94 101.54 18.18 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.646 0.736 . . . . 0.0 110.887 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.502 ' HB3' ' CZ ' ' A' ' 21' ' ' PHE . 54.1 Cg_endo -69.67 -8.17 22.92 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.69 2.26 . . . . 0.0 112.384 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.8 tttp -121.92 6.19 9.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 72.7 -178.74 38.89 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.51 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 54.2 mt -95.8 -35.17 11.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.843 0.354 . . . . 0.0 110.952 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -135.54 171.44 14.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -58.75 -22.87 58.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.417 ' HG2' ' NZ ' ' A' ' 114' ' ' LYS . 12.4 tt0 -65.72 -62.74 1.34 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 28.1 t -100.48 40.78 1.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -84.4 -29.68 25.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.862 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -75.81 -26.7 57.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -99.02 170.23 8.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.493 ' CD2' ' HA ' ' A' ' 53' ' ' PRO . 2.3 tm? -92.87 126.59 38.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.951 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.445 ' N ' HD11 ' A' ' 64' ' ' LEU . 3.7 t -103.08 108.01 19.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 27.1 tp -119.39 125.8 49.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.456 ' CE2' ' O ' ' A' ' 113' ' ' PHE . 47.0 m-85 -130.71 163.51 27.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.928 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.457 ' CD2' ' HB3' ' A' ' 82' ' ' PHE . 66.9 tp -116.63 99.51 7.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.485 ' HB2' ' CZ ' ' A' ' 50' ' ' ARG . 5.6 tp -91.18 136.35 33.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.476 HD22 ' N ' ' A' ' 106' ' ' VAL . 50.3 tp -83.79 83.2 8.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.483 HG13 ' CB ' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -36.87 -64.29 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 179.831 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.428 ' N ' HG22 ' A' ' 71' ' ' VAL . 9.9 t -146.31 159.56 43.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 12.1 p -154.52 139.38 11.78 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.605 0.716 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -51.27 0.4 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.711 2.274 . . . . 0.0 112.303 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.8 ptpt -79.91 152.12 29.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.3 m -46.07 -52.45 11.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -134.91 153.56 52.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.4 p -145.61 141.58 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.137 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 42.1 mtp180 -113.4 135.87 53.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -159.88 156.9 28.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.076 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -102.22 128.85 48.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.457 ' HB3' ' CD2' ' A' ' 68' ' ' LEU . 51.6 p90 -108.79 141.38 40.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.494 ' CG ' ' HB3' ' A' ' 98' ' ' GLU . 0.0 OUTLIER -135.09 134.71 40.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.915 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -113.91 146.58 39.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.874 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 75.1 p -161.1 153.67 20.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.862 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 50.7 mt -116.41 132.83 64.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.147 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.3 mt -96.85 112.71 24.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.469 ' OD1' ' N ' ' A' ' 90' ' ' LYS . 23.2 p30 -62.18 -176.62 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.59 -32.03 64.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.081 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.469 ' N ' ' OD1' ' A' ' 88' ' ' ASN . 6.8 mptt -88.1 18.57 4.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.858 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 55.1 31.79 56.37 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.495 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -107.49 135.32 49.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.826 0.345 . . . . 0.0 110.889 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -53.95 137.5 39.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.9 t -161.03 143.84 12.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.53 ' HE3' ' CE2' ' A' ' 121' ' ' PHE . 28.3 mmtt 51.49 49.38 21.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -101.65 163.51 12.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.104 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.499 ' HE2' ' CG ' ' A' ' 113' ' ' PHE . 12.9 mtm -138.59 116.76 11.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.494 ' HB3' ' CG ' ' A' ' 83' ' ' LYS . 3.0 pt-20 -129.41 149.86 51.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 37.3 t -129.52 161.01 31.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -107.11 51.0 0.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.947 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 24.9 mtt180 -160.98 137.54 8.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -96.75 152.17 18.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -113.43 157.44 21.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.7 ttm105 -76.66 99.67 5.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.402 ' C ' HG13 ' A' ' 106' ' ' VAL . 22.9 m-85 -89.63 141.84 28.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.476 ' N ' HD22 ' A' ' 70' ' ' LEU . 20.0 m -151.94 159.83 3.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.115 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -47.9 98.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 99.43 23.47 11.11 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.489 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.448 ' HB2' ' CG2' ' A' ' 106' ' ' VAL . 18.4 tptt -98.85 144.11 28.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.808 0.337 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -127.24 126.08 42.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 45.2 m95 -144.48 122.57 12.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 179.1 -152.16 10.91 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.526 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.499 ' CG ' ' HE2' ' A' ' 97' ' ' MET . 21.8 m-85 -119.33 156.41 30.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.916 0.388 . . . . 0.0 110.876 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.417 ' NZ ' ' HG2' ' A' ' 59' ' ' GLU . 12.1 tttm -88.83 -54.65 4.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 49.8 mttt -102.57 98.33 8.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -83.59 -57.34 3.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.549 HD11 ' CD2' ' A' ' 121' ' ' PHE . 4.8 tt -161.79 149.59 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -62.28 113.11 2.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 7.5 ttp180 -44.23 -44.63 8.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -49.04 -43.74 40.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.617 ' CE1' ' ND2' ' A' ' 127' ' ' ASN . 72.9 t80 -58.29 -43.04 87.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 13.4 mt -54.88 -63.3 1.2 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.482 ' CD1' ' N ' ' A' ' 123' ' ' LEU . 3.3 mp -62.37 -33.34 74.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 123' ' ' LEU . 9.6 t0 -34.37 141.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -84.69 -33.64 23.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -50.01 -37.98 35.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.095 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . 0.617 ' ND2' ' CE1' ' A' ' 121' ' ' PHE . 35.7 m-80 -93.97 -44.75 7.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.86 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 71.81 43.78 49.6 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.518 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.465 ' CD2' ' HB2' ' A' ' 127' ' ' ASN . 3.5 mm? -63.39 -20.94 65.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.812 0.339 . . . . 0.0 110.863 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.3 mt -128.04 85.42 60.62 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.632 0.73 . . . . 0.0 110.943 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -30.27 22.55 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.686 2.257 . . . . 0.0 112.338 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -120.38 26.45 9.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 63.34 26.0 14.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -124.79 126.57 45.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 46.7 tp -89.15 104.47 17.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.959 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 58.3 m -82.66 99.38 9.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.143 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 7.4 mt -95.42 117.57 30.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . 0.436 ' CE1' ' HB2' ' A' ' 13' ' ' SER . 6.8 t80 -102.71 110.6 22.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 18.7 t -112.91 141.96 46.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -126.41 112.86 16.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 59.1 t -103.25 128.71 56.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 16.1 m -118.35 112.17 19.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 59.0 t -84.16 132.27 31.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 19.8 m . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.082 179.979 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.2 p . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.89 0.376 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 85.5 t -103.73 103.07 14.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.134 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.458 ' CB ' ' HA ' ' A' ' 142' ' ' SER . 0.0 OUTLIER -115.31 170.0 8.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.916 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -159.51 151.7 20.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 98.2 p -113.17 153.14 28.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.866 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -147.16 109.83 4.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.922 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.455 ' HE1' ' CG2' ' A' ' 136' ' ' THR . 0.2 OUTLIER -84.62 126.49 33.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.544 ' NE1' ' CG1' ' A' ' 18' ' ' ILE . 6.0 t90 -121.33 100.21 6.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.933 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 59.5 m -93.15 100.37 12.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.141 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.544 ' CG1' ' NE1' ' A' ' 16' ' ' TRP . 70.6 mt -78.32 100.34 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.143 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.612 ' H ' ' ND2' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -67.61 131.82 46.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.924 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.484 ' N ' ' OD1' ' A' ' 20' ' ' ASN . 0.3 OUTLIER 69.04 50.82 0.56 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -61.94 -53.56 54.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.3 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.776 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.847 0.356 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.476 HG23 ' ND2' ' A' ' 52' ' ' ASN . 7.3 p -139.54 149.26 22.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.103 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.0 mt -96.4 98.6 7.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.095 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.0 mtmt -93.12 123.24 36.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 81.0 p -82.7 175.34 10.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.853 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.9 m -65.55 167.7 8.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.851 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.9 p -83.8 120.73 26.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.165 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 10.8 p90 -112.33 166.96 10.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.1 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.773 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 46.1 mmtt . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.816 0.341 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.468 HD22 ' NE1' ' A' ' 47' ' ' TRP . 3.2 tt -59.65 126.86 29.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.926 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.467 ' C ' ' CG1' ' A' ' 71' ' ' VAL . 56.9 mmtt -116.04 155.77 27.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.468 ' NE1' HD22 ' A' ' 45' ' ' LEU . 70.6 m95 -132.41 152.32 51.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.884 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 19.8 p -141.37 142.53 33.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.0 mt -103.1 132.71 49.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 21.6 mtt180 -109.91 102.17 10.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.479 HG21 ' CD1' ' A' ' 66' ' ' LEU . 60.2 t -106.34 134.76 46.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.476 ' ND2' HG23 ' A' ' 31' ' ' VAL . 4.8 m-80 -134.8 100.77 11.96 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.624 0.726 . . . . 0.0 110.905 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.457 ' HA ' ' CD2' ' A' ' 64' ' ' LEU . 54.5 Cg_endo -69.79 -43.47 2.62 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.649 2.232 . . . . 0.0 112.362 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.1 mttp -78.46 9.95 3.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.923 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 58.14 -173.87 2.82 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 22.5 mt -103.38 -49.93 3.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.833 0.349 . . . . 0.0 110.945 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.87 167.2 11.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -60.2 -10.34 4.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -78.1 -42.13 32.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.0 m -118.52 36.61 4.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.876 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.456 ' CG ' ' N ' ' A' ' 62' ' ' ASP . 2.9 ptmm? -77.74 -48.59 16.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.456 ' N ' ' CG ' ' A' ' 61' ' ' LYS . 32.4 m-20 -68.85 -19.48 64.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -98.55 159.57 14.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.457 ' CD2' ' HA ' ' A' ' 53' ' ' PRO . 0.1 OUTLIER -88.66 123.28 32.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.963 179.916 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.417 ' N ' HD12 ' A' ' 64' ' ' LEU . 17.7 t -104.26 117.04 33.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.486 ' CD1' HD11 ' A' ' 137' ' ' LEU . 8.9 tt -128.42 140.12 52.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.966 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.509 ' CE1' ' O ' ' A' ' 113' ' ' PHE . 59.8 m-85 -143.9 150.75 38.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.407 ' CD2' ' HB3' ' A' ' 82' ' ' PHE . 50.0 tp -99.82 111.93 24.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.894 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.6 tp -105.01 143.24 33.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.45 ' O ' ' C ' ' A' ' 71' ' ' VAL . 51.7 tp -91.78 82.48 5.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.467 ' CG1' ' C ' ' A' ' 46' ' ' LYS . 1.3 p -34.12 -57.2 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.121 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.1 m -155.58 152.59 28.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.835 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.409 ' HB3' ' CD2' ' A' ' 70' ' ' LEU . 30.5 p -141.19 144.75 35.79 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.634 0.73 . . . . 0.0 110.864 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -50.72 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.649 2.233 . . . . 0.0 112.322 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.9 pttm -92.26 167.5 11.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.93 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 t -45.01 -64.34 0.73 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -128.61 166.22 19.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.7 p -150.05 140.05 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.17 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 18.6 mtp85 -105.18 133.14 50.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -161.39 156.1 23.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.082 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 25.2 mttp -102.2 143.18 32.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.407 ' HB3' ' CD2' ' A' ' 68' ' ' LEU . 24.2 p90 -122.3 146.07 47.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.456 ' CG ' ' HG2' ' A' ' 98' ' ' GLU . 3.2 tmmm? -139.81 114.91 9.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -98.27 137.86 36.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.415 ' CB ' ' HB3' ' A' ' 96' ' ' ALA . 93.2 p -152.91 164.53 37.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 36.1 mt -123.31 128.68 74.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.116 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.7 mt -91.35 114.57 27.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.459 ' OD1' ' N ' ' A' ' 90' ' ' LYS . 25.9 p30 -61.94 178.1 0.39 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -52.13 -30.18 25.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.102 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.459 ' N ' ' OD1' ' A' ' 88' ' ' ASN . 0.5 OUTLIER -89.71 19.22 4.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.76 32.23 61.63 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -106.59 137.51 44.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.854 0.359 . . . . 0.0 110.879 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -61.98 131.6 50.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.2 t -155.1 146.49 22.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.137 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 40.1 mmtt 54.27 51.71 13.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.415 ' HB3' ' CB ' ' A' ' 85' ' ' SER . . . -102.47 157.65 16.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.085 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.52 ' HE1' ' CG ' ' A' ' 113' ' ' PHE . 16.3 mtm -132.52 124.82 29.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.456 ' HG2' ' CG ' ' A' ' 83' ' ' LYS . 37.4 mt-10 -99.2 159.62 14.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 8.3 t -100.99 146.73 27.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -62.21 -60.28 3.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.432 ' O ' ' CD1' ' A' ' 103' ' ' TYR . 11.1 ttm180 -144.49 145.88 32.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.823 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -42.08 159.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.085 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.432 ' CD1' ' O ' ' A' ' 101' ' ' ARG . 8.9 m-85 -124.61 161.22 26.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 20.7 ttm180 -75.52 98.81 4.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -90.54 131.92 36.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 10.9 m -140.02 158.13 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.154 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -47.65 104.24 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 95.97 25.27 13.23 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.504 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 15.6 tptt -101.6 146.03 28.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.759 0.314 . . . . 0.0 110.947 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.8 p-10 -132.6 122.41 24.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 76.0 m95 -134.46 125.47 27.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 177.08 -159.5 25.91 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.462 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.52 ' CG ' ' HE1' ' A' ' 97' ' ' MET . 56.6 m-85 -115.37 163.32 15.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.925 0.393 . . . . 0.0 110.916 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 28.6 tttp -90.99 -51.11 5.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 30.8 mttt -101.62 89.26 3.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -75.48 -47.3 27.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 4.0 tt -173.61 145.58 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.101 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 31.4 mtt180 -61.65 108.42 0.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.432 ' HD2' ' CA ' ' A' ' 53' ' ' PRO . 31.2 mtp180 -45.5 -43.63 11.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -46.99 -40.11 13.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.806 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.593 ' CE1' ' OD1' ' A' ' 127' ' ' ASN . 47.1 t80 -63.88 -35.85 81.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.47 ' HA ' ' CD1' ' A' ' 129' ' ' LEU . 8.6 mp -69.63 -58.42 3.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.956 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.465 HD11 ' N ' ' A' ' 123' ' ' LEU . 6.7 mp -55.94 -15.55 3.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -75.68 122.38 23.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -70.72 -33.52 70.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -46.65 -31.67 3.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.13 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . 0.593 ' OD1' ' CE1' ' A' ' 121' ' ' PHE . 50.1 m-80 -86.17 -37.91 18.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 92.82 -9.47 75.47 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.465 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.47 ' CD1' ' HA ' ' A' ' 122' ' ' LEU . 42.9 mt -40.87 -32.8 0.25 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.824 0.345 . . . . 0.0 110.886 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 11.6 mt -134.37 88.5 29.84 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.603 0.716 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -34.42 14.7 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.696 2.264 . . . . 0.0 112.37 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -125.13 22.64 7.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 70.45 41.57 0.97 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 4.4 mtpt -121.79 130.75 53.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.402 ' CD1' ' HG ' ' A' ' 137' ' ' LEU . 1.3 tm? -94.64 94.03 7.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' THR . . . . . 0.455 ' CG2' ' HE1' ' A' ' 15' ' ' MET . 22.5 m -87.7 98.62 11.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.486 HD11 ' CD1' ' A' ' 66' ' ' LEU . 1.2 mt -97.04 120.02 36.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -102.84 101.81 11.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.833 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 51.1 t -105.05 153.7 21.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -139.25 113.79 9.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 50.1 t -102.0 127.1 55.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.11 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' SER . . . . . 0.458 ' HA ' ' CB ' ' A' ' 11' ' ' LYS . 14.8 m -112.17 108.19 17.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 35.8 t -87.44 126.13 41.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 16.6 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.105 179.923 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.1 t -76.99 -49.39 15.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.853 0.359 . . . . 0.0 110.894 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.8 p -104.8 102.72 12.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.875 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.16 -135.79 5.39 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.485 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.9 t -89.07 149.53 23.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.869 0.366 . . . . 0.0 110.885 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.1 t -104.67 -61.06 1.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.831 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.2 -171.18 13.94 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.458 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -95.49 156.77 16.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.784 0.326 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.1 p -135.29 124.24 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.101 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 78.8 t -89.68 108.45 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.94 155.82 29.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -158.18 140.01 13.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 138' ' ' PHE . 81.3 p -108.31 151.14 26.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.807 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.447 ' CB ' ' CD2' ' A' ' 37' ' ' PHE . 9.7 t80 -141.36 117.03 10.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.937 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 30.9 ttm -84.74 122.25 28.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.564 ' CZ2' HD12 ' A' ' 18' ' ' ILE . 10.1 t90 -117.89 102.92 9.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 38.6 m -95.92 109.94 22.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.101 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.564 HD12 ' CZ2' ' A' ' 16' ' ' TRP . 33.9 mt -90.62 98.85 8.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.64 128.3 35.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 73.14 49.54 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.923 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -62.38 -29.41 70.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.5 t -81.41 -4.21 55.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -100.25 -1.71 35.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.8 m -54.55 106.49 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -90.42 43.21 1.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.463 ' OE1' ' N ' ' A' ' 26' ' ' GLU . 12.2 mp0 -100.99 143.88 30.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -64.07 -177.72 0.29 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 9.3 ptm -85.12 20.86 1.79 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -137.16 -31.59 0.25 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.492 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -64.18 162.0 15.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.878 0.371 . . . . 0.0 110.872 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.456 HG12 ' NE ' ' A' ' 50' ' ' ARG . 9.5 p -134.09 151.12 31.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.144 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 46.2 mt -104.41 112.02 36.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.166 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 38.6 mttt -96.42 126.18 41.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 84.5 p -90.47 163.2 14.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.0 m -51.61 173.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.807 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 48.6 p -90.46 130.85 36.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.155 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.447 ' CD2' ' CB ' ' A' ' 14' ' ' TYR . 2.5 p90 -123.04 145.4 48.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.5 p -135.08 -178.82 5.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 45.3 t -59.53 -43.65 93.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -173.76 -82.93 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.462 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.24 178.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.774 0.321 . . . . 0.0 111.126 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -78.63 48.88 0.83 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -47.78 150.56 1.04 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -73.61 -31.97 63.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.953 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.1 tp -80.39 109.98 15.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.467 ' CB ' HG11 ' A' ' 71' ' ' VAL . 43.7 mmtt -108.61 167.54 9.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 55.9 m95 -145.1 153.89 41.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.3 p -142.9 156.75 44.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 80.0 mt -116.98 133.87 55.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.456 ' NE ' HG12 ' A' ' 31' ' ' VAL . 30.3 mtp180 -111.77 102.84 11.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 47.2 t -104.26 146.01 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -129.98 106.21 16.63 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.656 0.741 . . . . 0.0 110.862 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -49.47 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.672 2.248 . . . . 0.0 112.335 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.6 mttt -83.34 22.31 1.04 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.05 175.6 11.59 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.496 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.8 tp -113.23 -41.35 3.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.794 0.331 . . . . 0.0 110.882 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -123.49 174.32 7.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -74.5 -13.31 60.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -82.48 -36.62 26.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 75.5 p -118.32 31.54 6.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.902 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -67.92 -28.79 67.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -77.39 -39.46 47.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.57 ' CD2' ' HG2' ' A' ' 118' ' ' ARG . 3.6 m-85 -92.71 173.41 7.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.2 tp -89.7 145.45 25.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 m -116.3 99.23 7.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.547 ' CD2' ' N ' ' A' ' 67' ' ' TYR . 5.8 tt -107.98 148.24 29.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.547 ' N ' ' CD2' ' A' ' 66' ' ' LEU . 78.4 m-85 -154.78 143.81 20.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.957 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 34.7 tp -93.0 112.88 24.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.919 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.1 tp -104.14 140.71 37.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 71' ' ' VAL . 41.4 tp -89.23 84.0 6.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.467 HG11 ' CB ' ' A' ' 46' ' ' LYS . 0.4 OUTLIER -37.37 -64.29 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.832 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.2 t -147.1 149.92 34.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 25.6 p -142.24 144.7 32.41 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.606 0.717 . . . . 0.0 110.888 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -48.54 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.657 2.238 . . . . 0.0 112.341 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.3 pttt -93.79 165.56 12.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.6 m -46.32 -71.48 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -119.45 158.96 25.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -144.88 137.94 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.155 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.9 mtt180 -105.23 132.36 51.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -159.83 158.48 31.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 61.1 mttt -103.85 135.9 44.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 44.4 p90 -116.05 154.28 30.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.496 ' CG ' ' HB3' ' A' ' 98' ' ' GLU . 0.0 OUTLIER -148.09 120.2 8.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -99.97 140.87 33.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 92.4 p -153.12 156.0 37.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 34.5 mt -114.85 128.68 71.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.179 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 mt -95.01 108.37 20.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.489 ' OD1' ' N ' ' A' ' 90' ' ' LYS . 27.8 p30 -57.77 179.41 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -54.65 -25.31 26.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.052 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.489 ' N ' ' OD1' ' A' ' 88' ' ' ASN . 0.8 OUTLIER -94.27 19.4 9.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.951 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.44 28.73 56.05 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.493 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -102.76 142.36 34.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.814 0.34 . . . . 0.0 110.901 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -68.21 133.54 49.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.4 t -156.91 139.32 14.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.159 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.55 ' HE2' ' CE2' ' A' ' 121' ' ' PHE . 31.6 mmtm 59.47 43.92 15.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.88 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -95.75 147.49 23.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.096 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.524 ' HE3' ' CD2' ' A' ' 113' ' ' PHE . 20.6 mtm -120.76 111.9 18.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.827 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.496 ' HB3' ' CG ' ' A' ' 83' ' ' LYS . 3.0 pt-20 -120.23 148.38 43.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.1 t -131.86 141.9 49.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -91.39 45.08 1.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.957 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -146.35 137.88 24.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -100.73 137.52 39.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -108.3 163.78 12.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.914 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -82.38 119.46 24.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -108.61 136.11 48.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 109' ' ' LYS . 17.1 m -143.15 149.43 18.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.134 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -41.78 95.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 106' ' ' VAL . . . 108.55 18.64 9.4 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.492 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 106' ' ' VAL . 14.4 tptt -102.0 135.23 43.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.768 0.318 . . . . 0.0 110.863 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -121.74 125.16 45.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 88.5 m95 -137.1 132.92 34.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 178.83 -142.87 5.58 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.482 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.524 ' CD2' ' HE3' ' A' ' 97' ' ' MET . 20.1 m-85 -132.16 152.58 51.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.938 0.399 . . . . 0.0 110.887 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 19.9 tttt -78.98 -54.59 5.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -103.23 95.86 6.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -88.22 -49.67 6.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.496 HG13 ' N ' ' A' ' 118' ' ' ARG . 8.2 tp -159.29 153.21 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.138 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.57 ' HG2' ' CD2' ' A' ' 63' ' ' TYR . 18.2 mtt180 -74.83 117.03 16.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 22.3 ttp180 -51.48 -38.01 51.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -65.77 -23.11 66.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.554 ' CZ ' ' OD1' ' A' ' 127' ' ' ASN . 31.0 t80 -75.7 -42.94 49.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.471 HD12 ' CG2' ' A' ' 117' ' ' ILE . 5.8 mp -59.72 -56.34 23.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 9.1 mt -58.21 -18.92 29.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -59.92 142.44 53.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -82.17 -36.07 27.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.855 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -46.09 -43.04 14.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.12 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . 0.554 ' OD1' ' CZ ' ' A' ' 121' ' ' PHE . 51.0 m-80 -83.04 -41.6 18.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 70.8 29.17 69.66 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.465 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 45.8 mt -62.96 -22.67 66.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.872 0.368 . . . . 0.0 110.909 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.7 mt -134.21 85.26 39.58 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.595 0.712 . . . . 0.0 110.904 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -25.44 28.44 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.676 2.251 . . . . 0.0 112.341 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -133.39 26.71 4.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 66.36 32.07 7.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -113.8 120.02 39.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.479 HD11 ' CD1' ' A' ' 137' ' ' LEU . 3.5 tm? -93.16 101.55 13.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 85.0 m -93.74 103.98 16.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.123 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.479 ' CD1' HD11 ' A' ' 135' ' ' LEU . 5.7 mt -101.33 110.41 22.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 13' ' ' SER . 29.1 t80 -91.37 105.74 17.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.857 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 51.7 t -103.28 149.83 24.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -135.14 117.99 16.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 20.7 t -110.6 135.33 50.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.136 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 10.7 m -126.01 108.37 11.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.83 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 91.4 t -84.72 124.38 39.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.125 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 29.8 m -68.31 123.18 21.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -125.47 166.67 16.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.946 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 147' ' ' SER . 0.8 OUTLIER -121.7 82.43 1.94 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 146' ' ' ASP . 25.8 p 35.12 38.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 27.0 m -93.55 122.87 45.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -128.9 98.07 4.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 4.5 mp -83.63 122.89 38.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.161 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 23.3 t -119.21 155.26 32.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . -109.03 -101.05 2.67 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.521 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 55.15 38.86 31.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.796 0.331 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 4.6 m -83.76 165.91 18.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -63.95 154.76 46.33 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.474 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 -43.14 2.75 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.661 2.24 . . . . 0.0 112.31 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 19.9 m 45.07 41.95 6.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.853 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 30.7 p -97.08 170.44 9.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.495 -179.956 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.2 t -65.45 129.52 40.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.918 0.389 . . . . 0.0 110.794 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.2 m -153.71 176.33 12.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.832 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.7 43.65 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.534 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.3 t -105.88 116.46 31.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.877 0.37 . . . . 0.0 110.846 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.8 m -147.79 109.79 4.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.834 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.65 -107.89 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.451 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 52.8 tttt -66.47 151.09 47.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.803 0.335 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.2 p -140.19 125.1 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.108 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 99.5 t -87.63 110.19 20.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.02 157.34 27.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 11.2 p90 -153.39 143.56 22.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.446 ' HB2' ' CE1' ' A' ' 138' ' ' PHE . 80.7 p -107.59 126.91 53.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.831 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -120.29 116.87 26.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 30.3 ttm -93.88 122.23 36.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.879 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.539 ' CE2' ' CG1' ' A' ' 18' ' ' ILE . 8.7 t90 -118.44 100.4 7.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.948 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 85.3 m -91.64 108.93 20.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.183 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.539 ' CG1' ' CE2' ' A' ' 16' ' ' TRP . 38.5 mt -88.68 103.98 14.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.146 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.452 ' C ' ' CG ' ' A' ' 20' ' ' ASN . 0.5 OUTLIER -66.13 147.53 53.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.452 ' CG ' ' C ' ' A' ' 19' ' ' ASN . 0.7 OUTLIER 48.58 47.42 20.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.935 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -61.06 -16.36 42.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.8 m -80.35 -12.53 59.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.849 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -110.35 17.88 20.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.0 m -42.51 103.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.415 ' C ' ' HD2' ' A' ' 25' ' ' ARG . 2.8 tmm_? -49.09 -53.31 21.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -39.51 129.12 1.91 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.6 mp0 -97.74 -176.25 3.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.87 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.443 ' N ' ' HD3' ' A' ' 54' ' ' LYS . 15.0 tpp -45.71 129.83 9.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 96.33 -62.36 1.22 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.501 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -43.62 165.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.925 0.393 . . . . 0.0 110.881 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.5 p -137.13 151.19 26.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.158 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 55.3 mt -101.2 107.1 20.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.6 mttt -91.18 130.77 37.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 89.9 p -93.27 176.31 6.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 m -63.5 177.68 0.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 31.1 p -97.23 120.89 38.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.167 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 12.8 p90 -119.61 139.13 52.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 65.3 p -131.69 177.02 7.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 35.7 p -67.35 -44.52 78.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.838 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -130.29 -162.01 10.6 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.496 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -91.79 -41.65 10.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.807 0.337 . . . . 0.0 111.095 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -93.81 45.47 1.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -111.66 99.5 8.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp -52.48 -21.96 4.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.4 tp -82.66 123.96 29.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.945 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.411 ' CB ' HG11 ' A' ' 71' ' ' VAL . 40.1 mmtm -118.56 167.96 11.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 62.2 m95 -147.9 151.39 35.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.926 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.444 ' SG ' ' N ' ' A' ' 49' ' ' LEU . 29.0 t -138.32 161.69 36.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.444 ' N ' ' SG ' ' A' ' 48' ' ' CYS . 22.8 mt -118.78 128.45 54.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -107.14 105.7 15.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.813 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.2 t -104.41 138.96 26.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.057 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.404 ' OD1' ' N ' ' A' ' 52' ' ' ASN . 0.4 OUTLIER -130.85 102.23 16.36 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.602 0.715 . . . . 0.0 110.857 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -46.04 1.36 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.683 2.256 . . . . 0.0 112.333 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.443 ' HD3' ' N ' ' A' ' 28' ' ' MET . 7.7 mtpt -81.46 -14.19 57.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.874 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.35 177.8 51.98 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.459 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -76.11 -47.1 25.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.817 0.341 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -143.98 177.62 8.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.839 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -51.3 -22.49 2.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -61.8 -57.17 12.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.938 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 81.8 p -98.73 40.94 1.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.809 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -84.82 -34.32 22.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -70.57 -47.03 62.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.823 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.432 ' CD2' ' CG ' ' A' ' 115' ' ' LYS . 2.6 m-85 -97.53 162.77 13.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.448 HD23 ' N ' ' A' ' 65' ' ' SER . 9.8 tt -89.22 154.88 19.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.915 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.448 ' N ' HD23 ' A' ' 64' ' ' LEU . 1.0 OUTLIER -119.55 122.94 42.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.0 tp -131.17 125.38 32.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.595 ' HH ' ' N ' ' A' ' 114' ' ' LYS . 61.7 m-85 -133.4 143.75 49.1 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 17.5 tp -93.68 105.38 17.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.929 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.5 tp -94.98 145.89 24.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 12.6 tp -95.01 84.87 4.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.411 HG11 ' CB ' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -38.96 -63.65 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 179.822 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 43.0 t -147.01 144.54 29.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 28.2 p -137.01 143.81 43.8 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.613 0.72 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -46.82 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.666 2.244 . . . . 0.0 112.375 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.1 pttm -97.07 157.1 16.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.1 m -40.81 -69.77 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.816 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -118.02 159.2 23.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -147.28 141.25 19.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.132 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.4 mtp-105 -110.57 131.95 54.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -159.34 158.39 32.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.066 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 56.5 mttt -102.96 135.36 44.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -121.31 148.08 44.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.415 ' HD2' ' C ' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -138.56 127.82 24.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -106.71 142.8 35.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.847 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.451 ' HB3' ' CB ' ' A' ' 96' ' ' ALA . 23.5 p -157.03 163.37 39.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 26.3 mt -123.22 136.46 59.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.14 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.1 mt -98.62 109.47 22.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.405 ' OD1' ' N ' ' A' ' 90' ' ' LYS . 41.1 p30 -60.26 -176.6 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.941 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.71 -29.27 59.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.075 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.405 ' N ' ' OD1' ' A' ' 88' ' ' ASN . 1.3 mppt? -88.9 16.49 6.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 55.78 30.06 55.86 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.453 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -105.94 134.75 48.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.817 0.341 . . . . 0.0 110.903 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -54.83 132.73 46.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.7 t -153.52 149.43 27.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.163 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.516 ' HE2' ' CE1' ' A' ' 121' ' ' PHE . 34.0 mmtm 50.39 52.72 14.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.451 ' CB ' ' HB3' ' A' ' 85' ' ' SER . . . -103.9 152.74 21.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.088 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 19.6 mtm -126.71 120.1 28.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -93.88 157.65 16.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 28.5 t -100.63 157.99 16.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.432 ' NE2' ' HB3' ' A' ' 101' ' ' ARG . 3.4 pp0? -87.95 -38.01 15.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.941 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.432 ' HB3' ' NE2' ' A' ' 100' ' ' GLN . 37.7 ttt180 -153.73 164.01 39.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.9 160.12 32.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -119.71 163.98 16.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.949 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 15.8 ttm180 -82.36 96.19 7.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -87.28 148.78 24.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 109' ' ' LYS . 13.8 m -153.58 145.66 14.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.121 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 106' ' ' VAL . 5.9 tt0 -37.69 97.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 106' ' ' VAL . . . 103.87 23.23 8.33 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.492 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 106' ' ' VAL . 19.7 tptt -103.27 144.48 31.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.828 0.347 . . . . 0.0 110.872 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -130.47 121.04 25.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 94.9 m95 -133.24 134.66 44.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 169.19 -159.43 32.4 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.46 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -117.77 137.83 52.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.894 0.378 . . . . 0.0 110.866 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.595 ' N ' ' HH ' ' A' ' 67' ' ' TYR . 3.1 ttmp? -66.1 -62.2 1.62 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.432 ' CG ' ' CD2' ' A' ' 63' ' ' TYR . 1.3 mptm? -87.01 91.44 8.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -78.86 -52.11 8.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.445 ' CD1' ' HG3' ' A' ' 95' ' ' LYS . 2.1 tt -170.96 146.68 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.114 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 25.1 mtt180 -54.64 119.51 5.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 14.3 ttt180 -53.83 -45.57 70.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -51.18 -41.1 59.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.525 ' CE1' ' ND2' ' A' ' 127' ' ' ASN . 12.8 t80 -52.52 -38.95 60.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.441 ' CD2' HD23 ' A' ' 135' ' ' LEU . 6.8 mp -64.85 -55.42 19.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.456 ' CD2' ' N ' ' A' ' 123' ' ' LEU . 1.9 mm? -70.04 -11.53 60.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -58.48 149.36 25.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -89.81 -33.85 16.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.41 -36.92 64.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . 0.525 ' ND2' ' CE1' ' A' ' 121' ' ' PHE . 13.8 m-20 -93.23 -44.54 8.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 69.24 44.19 67.22 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.524 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -64.6 -23.66 67.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.843 0.354 . . . . 0.0 110.94 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 1.7 mt -127.43 85.63 60.45 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.64 0.733 . . . . 0.0 110.876 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -22.71 31.7 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.675 2.25 . . . . 0.0 112.357 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -130.07 25.51 5.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 64.32 27.29 13.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -125.72 122.66 36.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.441 HD23 ' CD2' ' A' ' 122' ' ' LEU . 16.9 tp -88.44 114.18 24.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 95.2 m -96.18 95.22 7.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 7.4 mt -87.97 124.18 33.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . 0.446 ' CE1' ' HB2' ' A' ' 13' ' ' SER . 10.2 t80 -107.6 105.83 15.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 34.3 t -107.18 153.76 22.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -140.04 119.2 12.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 24.2 t -108.75 134.48 50.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.117 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.5 m -123.54 108.52 12.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 59.4 t -84.62 128.23 39.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.15 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 24.7 m -77.56 128.0 38.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.142 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 60.9 mm-40 -113.62 -175.0 2.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.948 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -84.19 150.78 25.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 70.1 p -53.45 156.12 2.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 33.4 m -151.72 163.46 2.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.099 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -108.84 134.3 51.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . 0.401 HG23 ' N ' ' A' ' 151' ' ' SER . 70.8 mt -104.12 136.3 37.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.099 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' SER . . . . . 0.401 ' N ' HG23 ' A' ' 150' ' ' ILE . 2.5 t -141.1 127.49 19.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . -167.49 100.5 0.17 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.481 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -109.3 149.68 29.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.826 0.346 . . . . 0.0 110.906 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 33.1 t -175.11 149.22 1.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -97.16 144.26 17.23 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.467 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -177.83 2.04 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.652 2.235 . . . . 0.0 112.399 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 1.8 t -161.79 132.56 5.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.829 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -133.5 154.55 50.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.837 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.488 179.991 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.0 t -104.44 -43.8 5.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.886 0.374 . . . . 0.0 110.863 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.4 p -49.15 150.29 1.71 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.42 -118.43 4.62 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.494 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -152.42 158.28 42.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.85 0.357 . . . . 0.0 110.888 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.3 m -150.81 172.11 16.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.817 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.32 -163.05 51.61 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.462 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.463 ' HD2' ' N ' ' A' ' 9' ' ' VAL . 0.2 OUTLIER -77.4 151.69 34.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.817 0.341 . . . . 0.0 110.864 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.463 ' N ' ' HD2' ' A' ' 8' ' ' LYS . 7.4 p -138.94 127.63 28.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 68.6 t -88.55 100.82 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.127 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.53 155.48 26.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -153.68 140.8 19.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.463 ' HB2' ' CE1' ' A' ' 138' ' ' PHE . 97.0 p -109.8 130.14 55.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.832 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -123.85 121.86 36.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.933 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 38.5 ttm -92.7 119.63 32.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.924 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.549 ' CZ3' ' HB3' ' A' ' 34' ' ' SER . 10.0 t90 -115.26 109.28 17.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 85.4 m -102.97 125.67 49.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.116 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.538 HD12 ' CZ2' ' A' ' 16' ' ' TRP . 32.2 mt -107.73 100.66 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.575 ' H ' ' ND2' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -65.37 134.24 53.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 52.2 m-20 62.92 45.9 5.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.455 ' CZ ' ' HB3' ' A' ' 53' ' ' PRO . 69.7 t80 -47.38 -19.86 0.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.3 t -86.72 19.8 2.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.669 ' CD1' ' C ' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -101.56 -34.95 9.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.432 ' N ' ' CD1' ' A' ' 23' ' ' PHE . 78.3 m -57.47 91.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -107.5 42.7 1.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -71.4 178.07 3.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 28' ' ' MET . 32.0 mp0 -97.05 156.25 16.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.407 ' C ' ' O ' ' A' ' 27' ' ' GLU . 5.6 ttm -37.94 133.52 0.86 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.85 -54.87 0.91 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.465 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -38.55 133.36 1.04 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.857 0.36 . . . . 0.0 110.897 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 12.3 p -126.2 162.1 30.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.091 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 17.0 mt -109.81 117.56 54.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -100.08 108.59 20.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.549 ' HB3' ' CZ3' ' A' ' 16' ' ' TRP . 28.9 p -71.8 152.1 42.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 61.4 m -44.88 170.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.859 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 37.9 p -86.2 129.32 34.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.141 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -118.71 139.57 51.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.8 p -137.9 159.76 41.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.5 t -52.35 -66.13 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.833 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -96.66 -122.93 4.32 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.502 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -129.75 -53.7 1.15 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.833 0.349 . . . . 0.0 111.114 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -82.32 40.07 0.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -90.41 120.29 31.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.828 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 49.6 mmtt -68.75 -40.98 79.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 32.4 tp -72.83 120.18 18.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 48.0 mmtt -116.03 160.57 20.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 70.4 m95 -139.3 153.78 47.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 21.9 p -143.25 144.09 32.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.859 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 77.1 mt -100.62 136.38 40.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 -107.87 102.66 11.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.853 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.426 HG11 ' N ' ' A' ' 52' ' ' ASN . 88.2 t -104.28 140.33 22.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.426 ' N ' HG11 ' A' ' 51' ' ' VAL . 39.5 m-80 -133.37 102.03 13.09 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.629 0.728 . . . . 0.0 110.881 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.478 ' HA ' ' CD2' ' A' ' 64' ' ' LEU . 53.8 Cg_endo -69.79 -32.87 17.61 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.707 2.271 . . . . 0.0 112.302 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.1 tttp -89.97 -14.37 34.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 86.27 162.09 36.38 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.486 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 31.2 mt -81.23 -54.95 5.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.85 0.357 . . . . 0.0 110.929 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -129.25 177.87 6.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -59.39 -12.91 6.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -74.15 -45.24 49.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 89.2 p -120.02 43.43 2.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.834 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.3 ptmm? -87.18 -33.51 19.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -82.15 -29.24 31.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.471 ' CE1' ' HG2' ' A' ' 118' ' ' ARG . 21.1 m-85 -97.67 166.84 11.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.969 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.478 ' CD2' ' HA ' ' A' ' 53' ' ' PRO . 3.1 tm? -92.94 122.86 35.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.3 t -100.47 123.88 45.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.3 tt -135.18 113.69 11.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -114.6 168.19 10.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.503 HD23 ' CZ ' ' A' ' 105' ' ' PHE . 49.3 tp -110.09 100.13 9.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.901 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.5 tp -90.29 141.29 28.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 55.4 tp -93.91 87.6 5.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -42.83 -63.25 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.097 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.3 m -146.41 147.7 31.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.823 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 28.8 p -137.8 143.05 38.62 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.606 0.717 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -43.51 2.59 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.684 2.256 . . . . 0.0 112.315 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.9 pttm -101.49 162.11 13.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.921 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 72.1 m -41.41 -64.15 0.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -130.03 153.2 48.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.7 p -139.97 136.42 38.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.167 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 23.0 mtt-85 -104.18 133.94 48.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -160.64 160.09 31.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.09 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 34.8 mttm -103.09 155.55 18.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.551 ' CZ ' ' HA2' ' A' ' 112' ' ' GLY . 23.9 p90 -139.53 155.63 47.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.824 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.8 tmmm? -147.99 116.75 6.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -97.95 138.19 35.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 77.4 p -149.27 162.32 40.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.83 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.471 ' CD1' HG23 ' A' ' 117' ' ' ILE . 30.8 mt -120.93 133.28 68.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.101 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.0 mt -96.86 106.01 18.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.585 ' ND2' ' H ' ' A' ' 92' ' ' GLU . 0.4 OUTLIER -57.66 -174.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.2 -31.39 61.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.88 9.53 9.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 62.58 20.85 61.98 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.585 ' H ' ' ND2' ' A' ' 88' ' ' ASN . 5.4 mm-40 -101.69 142.71 32.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.785 0.326 . . . . 0.0 110.908 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -58.57 137.88 57.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.1 t -157.44 136.11 11.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 47.0 mmtt 61.88 46.55 6.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -91.95 168.49 11.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.636 ' CE ' ' CG ' ' A' ' 113' ' ' PHE . 12.1 mtm -140.87 117.68 11.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -88.72 161.7 16.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 30.3 t -109.08 137.52 46.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.833 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -67.74 -63.19 1.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.923 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 13.2 ttp180 -130.52 160.22 34.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.25 168.85 14.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.089 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -130.12 173.74 10.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.934 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 -86.72 97.6 10.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.569 ' CE1' ' HB2' ' A' ' 111' ' ' TRP . 38.7 m-85 -91.35 118.17 30.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.467 ' CG2' ' HB2' ' A' ' 109' ' ' LYS . 15.1 m -127.65 166.6 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.133 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -51.95 118.1 3.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 80.5 20.8 65.65 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.497 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.467 ' HB2' ' CG2' ' A' ' 106' ' ' VAL . 22.7 tptt -102.14 163.57 12.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.792 0.329 . . . . 0.0 110.919 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.427 ' OD1' ' C ' ' A' ' 68' ' ' LEU . 6.6 t0 -148.46 136.12 20.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.569 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 96.9 m95 -150.81 124.57 9.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.551 ' HA2' ' CZ ' ' A' ' 82' ' ' PHE . . . -176.7 -127.69 1.06 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.636 ' CG ' ' CE ' ' A' ' 97' ' ' MET . 66.5 m-85 -132.07 146.45 52.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.923 0.392 . . . . 0.0 110.914 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 8.7 tttp -76.52 -59.58 2.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -103.33 102.62 12.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -78.88 -54.16 6.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.471 HG23 ' CD1' ' A' ' 86' ' ' ILE . 2.1 tt -168.76 145.25 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.094 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.471 ' HG2' ' CE1' ' A' ' 63' ' ' TYR . 15.4 mtt180 -49.87 118.97 3.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 17.0 ttp180 -52.54 -42.49 64.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -53.67 -42.75 68.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.593 ' CZ ' ' OD1' ' A' ' 127' ' ' ASN . 13.7 t80 -53.19 -42.65 66.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 7.8 mp -59.52 -62.41 1.9 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.928 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.5 mt -59.41 -30.37 68.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -49.52 150.52 1.91 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -93.81 -35.41 12.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -42.79 -43.19 3.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . 0.593 ' OD1' ' CZ ' ' A' ' 121' ' ' PHE . 8.1 m-20 -84.25 -40.58 17.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 69.66 38.55 77.82 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.466 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 50.3 mt -70.37 -24.09 62.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.81 0.338 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.6 mt -126.0 82.93 64.01 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.611 0.72 . . . . 0.0 110.905 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -35.12 13.18 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.692 2.261 . . . . 0.0 112.309 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -112.2 25.06 11.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 61.04 35.87 18.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt -133.9 130.16 37.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.88 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 46.4 tp -93.68 112.56 24.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 76.1 m -92.5 95.53 9.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 17.9 mt -88.78 116.81 27.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.914 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . 0.463 ' CE1' ' HB2' ' A' ' 13' ' ' SER . 8.3 t80 -103.46 111.25 23.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 16.6 t -113.7 147.7 37.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.845 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -133.3 114.99 14.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.859 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 48.2 t -103.61 139.17 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 19.9 m -131.99 107.65 8.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 64.6 t -84.14 130.64 35.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.111 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 25.6 m -73.57 132.01 34.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.14 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -123.12 177.44 5.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -102.84 155.91 18.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.822 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 22.6 p -61.97 141.07 58.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 17.2 m -127.34 160.6 36.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.159 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -117.38 88.22 2.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 19.5 mt -74.52 134.11 30.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.176 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 40.3 p -146.14 172.75 12.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.878 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . -157.28 -166.67 17.17 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.513 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 58.6 mm-40 -129.19 111.4 12.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.771 0.319 . . . . 0.0 110.915 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 44.0 p -52.81 118.45 3.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.836 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 122.32 -156.22 16.95 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.494 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 94.87 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.737 2.291 . . . . 0.0 112.331 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 78.0 p -91.98 115.74 28.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 3.4 m -47.94 119.78 3.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.479 -179.968 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.435 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 1' ' ' GLY . 16.4 m -35.47 110.84 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.86 0.362 . . . . 0.0 110.876 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.3 m -117.61 166.82 11.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.74 92.36 0.49 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.529 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 t -132.78 91.22 2.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.904 0.383 . . . . 0.0 110.868 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.2 m -88.47 109.98 20.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.858 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.58 -164.55 12.5 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.487 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.441 ' HD3' ' N ' ' A' ' 9' ' ' VAL . 5.4 tmtm? -68.15 149.0 50.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.864 0.364 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.441 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 7.3 p -137.48 134.33 46.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.108 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.41 ' HB ' ' NE2' ' A' ' 145' ' ' GLN . 84.0 t -97.44 107.25 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.172 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.25 156.06 28.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 12.8 p90 -141.28 146.18 36.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 89.6 p -114.19 125.99 54.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -118.07 115.31 24.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 36.6 ttm -88.14 114.33 24.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.559 ' CZ3' HG23 ' A' ' 51' ' ' VAL . 7.5 t90 -108.04 99.7 9.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 41.2 m -97.35 120.29 37.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.134 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.415 ' CG1' ' NE1' ' A' ' 16' ' ' TRP . 34.3 mt -102.92 99.99 9.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.6 ' H ' ' ND2' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -60.37 135.63 57.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.477 ' N ' ' O ' ' A' ' 133' ' ' ASP . 46.3 t-20 57.21 51.66 9.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -57.11 -11.91 1.87 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.3 t -71.1 -28.04 64.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.824 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.658 ' CD1' ' C ' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -72.89 -33.12 65.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.858 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 63.4 m -40.99 98.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.2 tpt180 -116.74 37.53 3.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.421 ' HG3' ' CB ' ' A' ' 30' ' ' GLU . 6.1 tp10 -48.01 120.3 3.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -49.56 170.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 5.5 tpt -62.05 135.04 57.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.863 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.2 -46.51 3.65 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.501 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.421 ' CB ' ' HG3' ' A' ' 26' ' ' GLU . 68.3 mm-40 -46.36 167.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.862 0.363 . . . . 0.0 110.895 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 12.8 p -153.67 150.77 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 68.2 mt -92.52 103.43 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.148 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? -87.12 109.87 19.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 84.1 p -72.02 156.79 38.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.2 t -52.86 -174.83 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 43.6 p -98.65 127.19 44.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.188 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -124.95 151.03 45.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 99.4 p -132.81 -178.5 4.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.791 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.4 t -72.63 -50.78 22.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.835 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -145.74 -133.57 2.57 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.538 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.424 ' O ' ' N ' ' A' ' 43' ' ' ASP . . . -40.24 154.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.827 0.346 . . . . 0.0 111.08 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -41.19 95.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 41' ' ' ALA . 53.7 m-20 -96.68 130.16 43.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.83 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt -43.74 -44.97 6.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.408 ' HG ' ' NE1' ' A' ' 47' ' ' TRP . 44.0 tp -74.15 125.68 28.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -121.23 168.88 11.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.408 ' NE1' ' HG ' ' A' ' 45' ' ' LEU . 49.8 m95 -149.41 147.46 28.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.938 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.5 p -137.59 153.51 49.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 29.5 mt -110.78 135.95 50.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 35.7 mtp180 -111.23 106.43 15.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.559 HG23 ' CZ3' ' A' ' 16' ' ' TRP . 74.0 t -108.01 131.29 58.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.47 ' N ' ' OD1' ' A' ' 52' ' ' ASN . 0.5 OUTLIER -119.95 101.8 47.3 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.582 0.706 . . . . 0.0 110.906 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.489 ' HA ' ' CD2' ' A' ' 64' ' ' LEU . 53.5 Cg_endo -69.8 -28.84 24.57 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.713 2.275 . . . . 0.0 112.304 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.3 tttm -96.94 -11.35 24.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.885 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.93 160.34 20.77 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.484 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.426 HD23 ' ND2' ' A' ' 52' ' ' ASN . 85.0 mt -72.91 -54.81 7.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.843 0.354 . . . . 0.0 110.89 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -126.77 166.35 17.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -53.66 -15.14 1.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -68.48 -42.34 78.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 51.4 p -124.53 51.15 1.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.854 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.3 ptmt -94.04 -34.12 13.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.442 ' N ' ' OD1' ' A' ' 62' ' ' ASP . 18.4 p-10 -74.18 -22.12 59.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.851 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.569 ' CD2' ' HG2' ' A' ' 115' ' ' LYS . 14.3 m-85 -105.95 170.43 7.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.489 ' CD2' ' HA ' ' A' ' 53' ' ' PRO . 2.7 tm? -96.7 125.9 41.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.919 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 t -102.55 110.64 22.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.404 ' HG ' ' CG2' ' A' ' 51' ' ' VAL . 5.8 tt -119.73 115.77 24.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -121.5 147.59 45.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.441 HD21 ' CD1' ' A' ' 82' ' ' PHE . 15.9 tp -97.36 114.61 26.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.954 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.9 tp -107.35 147.95 29.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.956 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.448 ' CD2' ' HB3' ' A' ' 73' ' ' CYS . 35.7 tp -96.37 88.75 4.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -41.45 -65.65 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.4 m -143.21 144.75 32.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.448 ' HB3' ' CD2' ' A' ' 70' ' ' LEU . 27.1 p -134.96 143.45 46.19 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.645 0.736 . . . . 0.0 110.851 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -49.51 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.642 2.228 . . . . 0.0 112.362 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.2 pttm -93.29 164.39 13.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.868 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.7 t -45.89 -61.69 1.63 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -128.32 158.44 38.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.5 p -143.24 140.28 26.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.138 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.4 mtp180 -106.35 130.3 54.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -161.44 153.35 19.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.05 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -107.41 136.96 46.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.441 ' CD1' HD21 ' A' ' 68' ' ' LEU . 31.5 p90 -115.95 159.43 21.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.401 ' C ' ' HD2' ' A' ' 83' ' ' LYS . 1.4 tmmt? -147.66 116.43 6.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -97.92 128.59 44.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 85.0 p -141.7 167.52 21.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.9 mt -126.03 133.45 68.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.0 mt -97.81 101.22 12.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.972 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.519 ' ND2' ' H ' ' A' ' 92' ' ' GLU . 0.3 OUTLIER -58.97 -175.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.48 -26.24 41.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.412 ' CB ' ' HG3' ' A' ' 92' ' ' GLU . 7.1 mptt -88.05 12.31 13.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.43 24.92 47.89 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.5 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.519 ' H ' ' ND2' ' A' ' 88' ' ' ASN . 6.5 mt-10 -105.97 140.47 38.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.841 0.353 . . . . 0.0 110.879 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -58.62 131.24 50.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.7 t -145.29 146.38 31.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.143 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.43 ' HE3' ' CE2' ' A' ' 121' ' ' PHE . 29.4 mmtt 48.98 47.56 21.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -94.26 154.77 17.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.064 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.574 ' HE2' ' CD2' ' A' ' 113' ' ' PHE . 5.0 ptp -122.43 120.51 34.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -98.35 166.43 11.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 40.9 t -118.08 155.88 29.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.817 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -78.32 -59.39 2.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.937 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 78.4 mtt180 -131.62 -175.75 3.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -93.41 145.02 24.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.08 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -106.55 173.99 6.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -84.72 110.58 18.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -102.51 117.23 34.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 16.9 m -124.65 147.66 29.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -42.2 99.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 108.23 19.8 8.7 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.541 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.6 tptt -104.69 143.19 33.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.799 0.333 . . . . 0.0 110.936 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -128.39 124.11 35.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.854 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 66.3 m95 -137.16 135.33 37.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.959 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 169.72 -153.69 22.14 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.428 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.574 ' CD2' ' HE2' ' A' ' 97' ' ' MET . 2.3 m-85 -114.11 153.08 30.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.93 0.395 . . . . 0.0 110.849 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 27.4 tttp -83.71 -55.84 4.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.91 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.569 ' HG2' ' CD2' ' A' ' 63' ' ' TYR . 2.6 mptt -101.48 95.16 6.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -79.99 -47.15 15.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.472 HD13 ' CD2' ' A' ' 121' ' ' PHE . 3.2 tt -174.62 145.26 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.109 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.512 ' HG2' ' CD1' ' A' ' 63' ' ' TYR . 15.9 mtt85 -57.32 120.13 7.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 10.2 ttp180 -49.23 -40.16 32.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -61.98 -39.56 92.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.599 ' CZ ' ' OD1' ' A' ' 127' ' ' ASN . 37.1 t80 -59.03 -24.0 62.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.6 mt -77.42 -61.7 1.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -59.86 -27.27 66.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.424 ' HB2' ' ND2' ' A' ' 127' ' ' ASN . 22.9 m-20 -54.01 127.36 26.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -69.32 -36.53 77.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -43.99 -35.49 2.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.132 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . 0.599 ' OD1' ' CZ ' ' A' ' 121' ' ' PHE . 1.4 m-80 -90.98 -30.81 16.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 69.46 3.16 38.54 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.45 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.477 HD12 ' N ' ' A' ' 129' ' ' LEU . 0.8 OUTLIER -41.05 -28.2 0.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.818 0.342 . . . . 0.0 110.942 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 6.0 mt -128.96 84.5 62.89 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.621 0.724 . . . . 0.0 110.94 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -31.15 21.15 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.684 2.256 . . . . 0.0 112.362 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -120.92 24.82 10.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' ' 20' ' ' ASN . 7.6 m-20 65.22 31.78 10.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -126.42 129.46 48.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 50.0 tp -92.8 96.32 10.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 85.9 m -75.81 95.31 3.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 15.2 mt -90.18 112.22 23.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -100.89 104.94 16.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 29.9 t -107.36 144.99 33.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -131.12 124.52 30.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 40.9 t -112.66 136.18 49.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.105 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -121.95 111.29 16.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 67.7 t -85.84 120.21 35.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.195 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.482 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 28.7 m -81.93 96.96 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.162 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . 0.41 ' NE2' ' HB ' ' A' ' 10' ' ' VAL . 5.7 pt20 -123.5 161.21 25.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -60.49 158.1 12.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 2.4 m -66.71 91.94 0.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.818 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -81.03 -34.7 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.121 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 38.42 41.38 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 29.6 mm -88.85 90.86 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 77.5 p -157.87 137.04 11.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.849 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 174.38 -66.56 0.11 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.517 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 39.9 tp60 -164.08 129.26 2.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.794 0.33 . . . . 0.0 110.939 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 21.4 t -50.32 135.86 21.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -87.12 -148.28 13.1 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.473 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -17.35 37.67 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.705 2.27 . . . . 0.0 112.39 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 23.3 m -76.49 157.03 32.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 15.3 t -155.43 153.07 29.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.802 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.47 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.9 t -150.82 134.68 16.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.914 0.388 . . . . 0.0 110.811 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.8 m 39.08 49.08 1.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.825 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.97 -56.03 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.528 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.406 ' HB2' ' N ' ' A' ' 146' ' ' ASP . 88.9 p -174.89 110.16 0.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.897 0.379 . . . . 0.0 110.85 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -135.13 148.37 49.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.85 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.17 -110.65 1.92 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.4 tptm -63.87 144.48 57.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.857 0.36 . . . . 0.0 110.863 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.1 p -141.41 126.91 18.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.464 ' HB ' ' NE2' ' A' ' 145' ' ' GLN . 79.6 t -99.24 110.51 26.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.122 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.39 158.12 25.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.923 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -145.78 149.82 35.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.501 ' HB2' ' CZ ' ' A' ' 138' ' ' PHE . 81.0 p -110.01 137.54 47.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -132.36 117.39 18.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 36.4 ttm -89.01 113.0 24.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 9.7 t90 -105.5 99.93 9.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.7 m -91.58 110.87 22.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.196 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 23.8 mt -94.67 99.84 10.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -70.16 136.59 50.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 24.8 m-20 61.67 46.71 6.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -61.24 -18.73 59.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 60.0 p -93.89 17.51 12.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -124.68 -3.16 7.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 26' ' ' GLU . 56.5 m -59.43 -23.83 62.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 24' ' ' CYS . 32.9 mmt180 33.46 35.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 24' ' ' CYS . 4.3 tt0 -50.24 155.74 0.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.416 ' HG2' ' CG ' ' A' ' 30' ' ' GLU . 6.4 pt-20 -97.29 -178.32 4.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.1 tpt -84.67 105.23 15.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 108.9 28.32 4.52 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.485 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.416 ' CG ' ' HG2' ' A' ' 27' ' ' GLU . 7.3 mm-40 -127.32 163.7 23.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.851 0.358 . . . . 0.0 110.932 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.2 p -141.42 162.89 21.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 64.7 mt -114.23 116.6 53.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.151 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.3 mttt -96.85 131.22 43.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 95.8 p -94.67 -178.37 4.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 m -69.93 173.69 6.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.858 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 72.3 p -97.84 125.73 42.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.105 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.421 ' CD1' ' N ' ' A' ' 37' ' ' PHE . 3.1 p90 -122.21 145.8 47.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.851 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.481 ' HB3' ' CE ' ' A' ' 46' ' ' LYS . 61.0 p -138.09 151.92 48.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.4 t -42.85 -38.18 2.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.16 43.86 3.95 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.502 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 42' ' ' ASN . . . -131.66 74.4 1.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.856 0.36 . . . . 0.0 111.087 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 41' ' ' ALA . 13.6 m-80 36.68 51.17 0.89 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -119.2 173.11 7.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 41.5 mmtt -122.38 -27.21 4.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.944 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.426 ' HG ' ' NE1' ' A' ' 47' ' ' TRP . 44.1 tp -54.41 123.74 13.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.481 ' CE ' ' HB3' ' A' ' 38' ' ' SER . 3.5 mmpt? -111.15 167.99 9.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.887 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.426 ' NE1' ' HG ' ' A' ' 45' ' ' LEU . 73.9 m95 -147.6 148.83 31.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 24.4 t -143.79 151.74 40.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 81.2 mt -109.09 142.98 39.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 46.5 mtp180 -118.01 104.73 11.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.431 ' CG2' ' HG ' ' A' ' 66' ' ' LEU . 50.2 t -103.91 145.05 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.123 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.468 ' N ' ' OD1' ' A' ' 52' ' ' ASN . 0.5 OUTLIER -134.99 102.09 11.19 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.663 0.744 . . . . 0.0 110.831 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -4.91 15.03 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.716 2.278 . . . . 0.0 112.341 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.0 tttt -130.36 0.8 4.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 70.06 -167.68 48.55 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.505 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.457 ' N ' ' CD2' ' A' ' 56' ' ' LEU . 1.9 mm? -97.01 -43.56 7.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.794 0.33 . . . . 0.0 110.94 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.49 ' CG ' ' N ' ' A' ' 58' ' ' GLU . 13.8 t70 -133.51 171.78 13.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.49 ' N ' ' CG ' ' A' ' 57' ' ' ASP . 10.8 mp0 -52.03 -24.42 6.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -53.91 -60.61 3.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.886 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 18.8 t -105.29 50.44 0.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -87.4 -32.48 19.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -72.08 -43.69 64.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.433 ' CD1' ' HG2' ' A' ' 115' ' ' LYS . 0.2 OUTLIER -93.33 167.13 11.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.827 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.424 HD23 ' C ' ' A' ' 65' ' ' SER . 9.1 tt -94.76 149.46 21.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.914 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.424 ' C ' HD23 ' A' ' 64' ' ' LEU . 1.8 t -116.65 125.55 51.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.807 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.431 ' HG ' ' CG2' ' A' ' 51' ' ' VAL . 5.1 tt -129.87 114.6 16.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -119.43 144.47 46.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 16.8 tp -94.13 106.34 18.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.923 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.1 tp -99.21 145.4 27.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.449 ' CD2' ' HB3' ' A' ' 73' ' ' CYS . 47.5 tp -93.73 84.09 4.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.468 HG12 ' CB ' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -35.26 -65.66 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 179.895 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.7 m -145.85 145.68 30.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.449 ' HB3' ' CD2' ' A' ' 70' ' ' LEU . 30.4 p -139.16 140.9 27.82 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.592 0.711 . . . . 0.0 110.926 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -47.97 0.83 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.662 2.241 . . . . 0.0 112.389 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.6 pttt -90.91 157.25 17.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 70.8 m -43.17 -66.69 0.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -120.78 159.72 24.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.864 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.5 p -150.5 134.95 9.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.155 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 40.7 mtt180 -104.27 135.96 44.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.868 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -160.66 156.22 25.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.174 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 36.4 mttm -103.92 138.73 40.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -124.83 154.52 40.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.0 tmmm? -147.86 120.31 8.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -98.11 141.96 30.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 18.0 p -156.37 145.68 20.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 47.6 mt -106.12 123.92 61.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.112 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.0 mt -88.55 115.34 26.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.445 ' C ' ' OD1' ' A' ' 88' ' ' ASN . 37.4 p30 -65.75 -176.67 0.39 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -52.73 -36.82 58.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.108 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.463 ' HD2' ' N ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -85.09 17.28 3.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 57.76 27.91 59.65 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.494 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -99.91 134.24 43.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.817 0.342 . . . . 0.0 110.866 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -58.35 133.75 55.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.0 t -155.37 141.37 18.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.126 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.441 ' CE ' HD12 ' A' ' 117' ' ' ILE . 20.1 mmmt 59.75 40.16 19.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -91.66 162.22 14.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.048 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.503 ' HE3' ' CG ' ' A' ' 113' ' ' PHE . 23.5 mtm -139.91 140.86 36.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -115.2 162.76 16.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.5 t -103.01 147.4 26.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -59.44 -42.67 92.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 46.5 ptt85 -162.85 174.56 12.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.62 153.86 42.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.083 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -123.07 170.85 9.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 48.3 ttt-85 -89.69 108.86 19.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -98.62 150.15 22.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.87 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.417 ' O ' ' N ' ' A' ' 109' ' ' LYS . 13.2 m -152.65 148.25 14.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.136 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -39.19 97.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.945 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 106' ' ' VAL . . . 105.29 22.28 8.32 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.483 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 106' ' ' VAL . 11.4 tptt -101.88 142.12 33.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.819 0.343 . . . . 0.0 110.866 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -128.27 123.37 33.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.871 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 77.4 m95 -134.23 131.89 39.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 171.69 -152.89 18.71 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.503 ' CG ' ' HE3' ' A' ' 97' ' ' MET . 15.4 m-85 -123.82 144.89 49.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.92 0.39 . . . . 0.0 110.869 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 24.4 tttp -72.14 -56.25 5.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.936 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.433 ' HG2' ' CD1' ' A' ' 63' ' ' TYR . 16.9 mttp -98.28 94.54 6.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.471 ' CD2' HG21 ' A' ' 117' ' ' ILE . 14.4 t80 -80.95 -56.09 4.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.471 HG21 ' CD2' ' A' ' 116' ' ' PHE . 3.0 tt -161.62 147.4 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.099 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.406 ' HG2' ' CD2' ' A' ' 63' ' ' TYR . 16.3 mtt180 -57.75 118.44 5.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 16.2 ttp180 -51.52 -32.77 29.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -63.0 -38.39 90.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.531 ' CZ ' ' OD1' ' A' ' 127' ' ' ASN . 6.1 t80 -58.63 -36.44 74.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 6.5 mp -69.11 -54.44 14.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.3 mt -67.73 -22.05 65.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.463 ' OD2' ' N ' ' A' ' 126' ' ' ALA . 19.4 t70 -54.98 158.95 2.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -99.76 -32.73 10.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . 0.463 ' N ' ' OD2' ' A' ' 124' ' ' ASP . . . -52.25 -31.9 34.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . 0.531 ' OD1' ' CZ ' ' A' ' 121' ' ' PHE . 41.0 m-20 -94.16 -32.78 13.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 58.03 42.08 94.8 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.518 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 69.6 mt -73.58 -20.01 60.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.848 0.356 . . . . 0.0 110.957 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 1.9 mt -130.12 81.08 69.59 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.616 0.722 . . . . 0.0 110.923 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -21.4 33.24 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.656 2.238 . . . . 0.0 112.337 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -129.62 26.59 5.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 64.69 25.35 13.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 2.6 ptpt -123.48 132.86 54.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 15.1 tp -97.52 114.18 26.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 93.2 m -90.68 95.83 10.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.206 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 10.5 mt -93.6 113.57 25.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . 0.501 ' CZ ' ' HB2' ' A' ' 13' ' ' SER . 17.2 t80 -99.5 105.89 17.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 29.6 t -106.95 146.09 31.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -130.32 114.3 15.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 20.3 t -103.72 133.88 46.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 11.1 m -120.81 111.96 18.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.822 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 97.4 t -86.27 127.17 40.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.104 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.485 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 25.4 m -88.51 100.04 9.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.127 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . 0.464 ' NE2' ' HB ' ' A' ' 10' ' ' VAL . 4.9 pt20 -123.26 138.33 54.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . 0.406 ' N ' ' HB2' ' A' ' 5' ' ' SER . 29.7 p-10 -38.78 152.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 58.2 p -56.6 111.2 0.94 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 35.1 m -143.56 125.13 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.127 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -77.05 152.02 35.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 23.9 mt -98.27 101.16 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.136 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 24.6 t -103.64 113.72 27.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 154.98 -138.31 6.06 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.523 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 51.8 mm-40 -121.92 146.8 46.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.808 0.337 . . . . 0.0 110.927 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.2 m -51.66 -53.36 39.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 132.08 -153.52 20.57 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.496 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 139.01 39.2 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.705 2.27 . . . . 0.0 112.354 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 73.2 p -54.87 -58.49 7.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.842 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 78.5 p -125.95 145.11 50.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.452 179.973 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.1 m -141.67 -175.49 4.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.889 0.376 . . . . 0.0 110.834 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -114.23 171.9 7.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.0 173.96 37.16 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.471 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.8 t -170.71 145.67 2.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.859 0.362 . . . . 0.0 110.87 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 t -94.24 -55.11 3.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.818 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.71 -102.7 0.17 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.508 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 50.6 tttt -77.06 146.44 37.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.821 0.343 . . . . 0.0 110.928 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.8 p -139.43 129.84 31.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 90.2 t -88.13 103.72 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.16 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.16 155.39 30.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -141.05 145.8 36.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.562 ' HB2' ' CZ ' ' A' ' 138' ' ' PHE . 85.3 p -107.84 126.6 52.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.548 ' CD1' ' HB3' ' A' ' 37' ' ' PHE . 87.9 t80 -118.44 109.65 16.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 28.1 ttm -89.81 121.04 31.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.546 ' CZ2' HD13 ' A' ' 18' ' ' ILE . 9.5 t90 -120.19 105.89 11.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 97.3 m -94.02 129.09 40.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.086 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.546 HD13 ' CZ2' ' A' ' 16' ' ' TRP . 44.6 mt -111.74 98.46 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.22 138.34 57.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.4 ' OD1' ' N ' ' A' ' 20' ' ' ASN . 0.9 OUTLIER 60.05 49.19 7.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.852 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.561 ' CE1' ' HB3' ' A' ' 53' ' ' PRO . 66.8 t80 -57.18 -25.56 59.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.848 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.0 p -79.3 -13.9 59.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.404 ' O ' ' C ' ' A' ' 24' ' ' CYS . 3.3 m-85 -95.05 16.79 15.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.869 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' PHE . 15.7 p -37.25 116.19 0.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.872 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 26' ' ' GLU . 16.5 tpt180 -85.22 -48.97 8.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 25' ' ' ARG . 8.2 mm-40 -35.97 141.63 0.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 28' ' ' MET . 3.1 tt0 -93.63 154.74 17.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.435 ' C ' ' O ' ' A' ' 27' ' ' GLU . 12.3 tpp -34.97 136.89 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.7 -42.12 2.69 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.472 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.48 ' O ' ' ND2' ' A' ' 52' ' ' ASN . 12.6 mp0 -69.99 138.27 52.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 110.915 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.476 HG22 ' N ' ' A' ' 32' ' ' ILE . 14.4 p -117.34 144.39 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.083 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.476 ' N ' HG22 ' A' ' 31' ' ' VAL . 18.5 mt -88.85 105.79 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.8 mtmm -88.84 115.3 26.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 57.3 p -74.76 -177.67 3.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.3 p -73.39 170.6 14.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.797 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 70.6 p -87.64 130.13 34.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.156 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.548 ' HB3' ' CD1' ' A' ' 14' ' ' TYR . 6.5 p90 -119.74 155.52 32.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.919 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 56.3 p -137.65 -178.87 5.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.6 t -71.27 -58.95 3.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -174.39 -82.59 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.49 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 43' ' ' ASP . . . -55.66 167.66 0.51 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.767 0.317 . . . . 0.0 111.146 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 31.5 m-20 -49.54 89.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.956 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 41' ' ' ALA . 9.9 t0 -103.56 106.07 16.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.8 mmtp -53.59 -39.3 64.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.473 HD22 ' NE1' ' A' ' 47' ' ' TRP . 2.1 tt -66.02 127.31 31.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.55 ' C ' ' CG1' ' A' ' 71' ' ' VAL . 37.8 mmtm -117.63 156.38 28.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.473 ' NE1' HD22 ' A' ' 45' ' ' LEU . 70.2 m95 -132.02 151.02 51.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 14.5 p -138.88 154.64 48.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.848 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.4 mt -114.69 132.64 56.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.968 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 23.3 mtp180 -109.09 104.69 13.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.835 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.426 HG12 ' N ' ' A' ' 52' ' ' ASN . 94.3 t -112.91 136.29 49.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.48 ' ND2' ' O ' ' A' ' 30' ' ' GLU . 5.2 t-20 -131.17 101.85 16.1 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.606 0.717 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.561 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 53.7 Cg_endo -69.74 -2.21 9.77 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.676 2.251 . . . . 0.0 112.363 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.409 ' HD3' ' N ' ' A' ' 28' ' ' MET . 26.0 tttt -124.07 6.96 8.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 61.47 -165.94 16.75 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.492 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 18.4 mt -112.57 -44.26 3.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.813 0.34 . . . . 0.0 110.89 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.42 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 0.2 OUTLIER -121.15 153.25 37.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.861 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -48.27 -20.6 0.4 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -68.75 -64.22 0.91 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.419 ' CB ' ' HD3' ' A' ' 115' ' ' LYS . 79.7 p -89.81 32.82 0.87 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.478 ' CG ' ' N ' ' A' ' 62' ' ' ASP . 10.1 ptmt -78.57 -46.64 18.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.478 ' N ' ' CG ' ' A' ' 61' ' ' LYS . 29.1 m-20 -63.66 -20.18 65.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.552 ' CE2' ' HG3' ' A' ' 118' ' ' ARG . 75.2 m-85 -105.45 160.69 14.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.488 ' CD2' ' HA ' ' A' ' 53' ' ' PRO . 2.8 tm? -89.68 125.59 35.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 32.4 t -98.43 112.31 24.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 23.1 tp -123.96 123.02 39.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.924 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -127.37 149.32 50.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.431 HD13 ' C ' ' A' ' 68' ' ' LEU . 0.7 OUTLIER -95.46 109.07 21.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.914 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.488 ' CD1' ' O ' ' A' ' 109' ' ' LYS . 7.0 tp -102.3 143.16 32.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 71' ' ' VAL . 40.5 tp -92.95 82.71 4.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.55 ' CG1' ' C ' ' A' ' 46' ' ' LYS . 1.3 p -34.03 -59.86 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.144 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 45.4 t -152.37 156.88 40.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 28.7 p -148.13 142.68 16.72 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.584 0.707 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -51.11 0.4 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.638 2.225 . . . . 0.0 112.375 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.0 pttm -90.6 167.93 12.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.3 t -45.28 -62.41 1.27 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.474 ' CB ' HG11 ' A' ' 106' ' ' VAL . 5.0 pt-20 -132.33 160.52 36.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.406 ' CG1' HD21 ' A' ' 70' ' ' LEU . 1.5 p -139.12 150.36 23.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.137 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 20.6 mtt180 -114.77 127.68 55.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -153.88 161.38 42.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 61.6 mttt -109.93 121.92 46.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 22.4 p90 -106.32 148.82 27.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.406 ' HD2' ' C ' ' A' ' 83' ' ' LYS . 1.1 tmmt? -141.08 124.66 16.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -101.63 133.81 45.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.458 ' CB ' ' HB1' ' A' ' 96' ' ' ALA . 60.7 p -147.63 166.44 27.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.41 HD12 ' CE2' ' A' ' 116' ' ' PHE . 19.1 mt -129.33 132.02 67.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.9 mt -94.59 110.97 22.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.935 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.538 ' ND2' ' H ' ' A' ' 92' ' ' GLU . 0.6 OUTLIER -65.53 -174.93 0.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -52.66 -35.04 54.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.14 14.8 3.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.927 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.66 23.59 44.43 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.444 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.538 ' H ' ' ND2' ' A' ' 88' ' ' ASN . 24.3 mt-10 -101.27 139.05 37.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.809 0.338 . . . . 0.0 110.877 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -57.24 133.86 55.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.861 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.7 t -153.89 150.02 27.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.194 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.472 ' HE3' ' CE2' ' A' ' 121' ' ' PHE . 0.0 OUTLIER 49.94 49.94 19.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.868 179.903 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.458 ' HB1' ' CB ' ' A' ' 85' ' ' SER . . . -102.17 158.29 16.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.465 ' HE1' ' CG ' ' A' ' 113' ' ' PHE . 19.0 mtm -130.75 132.76 45.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -106.67 170.29 8.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.8 m -115.36 160.83 19.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.843 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -76.28 -66.12 0.84 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 24.0 ttt-85 -136.75 140.92 42.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.825 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -43.2 146.95 0.39 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.065 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -108.21 160.02 16.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 18.2 ttt180 -74.47 98.84 3.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.494 ' CE1' ' HB2' ' A' ' 111' ' ' TRP . 13.5 m-85 -87.4 149.11 24.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.474 HG11 ' CB ' ' A' ' 77' ' ' GLU . 11.4 m -151.59 164.58 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.108 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -53.29 119.43 4.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 80.31 18.12 72.29 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.537 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.488 ' O ' ' CD1' ' A' ' 69' ' ' LEU . 19.5 tptt -89.98 158.66 17.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.764 0.316 . . . . 0.0 110.886 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -144.35 123.52 12.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.494 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 77.8 m95 -134.62 124.78 25.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 179.37 -158.43 22.37 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.455 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.465 ' CG ' ' HE1' ' A' ' 97' ' ' MET . 2.9 m-85 -116.61 162.95 16.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.934 0.397 . . . . 0.0 110.865 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 25.4 tttt -88.98 -46.42 8.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.419 ' HD3' ' CB ' ' A' ' 60' ' ' SER . 8.9 mmtm -110.11 92.73 4.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.41 ' CE2' HD12 ' A' ' 86' ' ' ILE . 11.7 t80 -79.42 -49.97 11.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.408 HG21 ' CD1' ' A' ' 86' ' ' ILE . 3.2 tt -171.59 147.46 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.552 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 21.0 mtm180 -59.15 112.94 1.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 15.5 ttp180 -45.79 -35.64 4.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.17 -35.57 80.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.584 ' CZ ' ' OD1' ' A' ' 127' ' ' ASN . 49.8 t80 -61.15 -26.04 67.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.453 HD21 ' CD1' ' A' ' 135' ' ' LEU . 5.9 mp -75.64 -54.04 7.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -82.64 21.45 0.99 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -87.99 158.16 18.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -93.22 -34.3 13.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.08 -43.43 70.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.086 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . 0.584 ' OD1' ' CZ ' ' A' ' 121' ' ' PHE . 12.7 m-80 -92.61 -47.53 7.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 74.43 42.9 32.52 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.526 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.52 HD21 ' CD2' ' A' ' 121' ' ' PHE . 3.1 mm? -60.11 -25.77 65.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.9 0.381 . . . . 0.0 110.961 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.465 ' N ' HD13 ' A' ' 130' ' ' LEU . 5.8 mp -124.59 93.04 46.98 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.581 0.705 . . . . 0.0 110.919 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -21.9 32.9 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.67 2.247 . . . . 0.0 112.326 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -129.7 25.7 5.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.831 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 63.75 37.67 9.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 3.8 ptpt -134.43 128.37 33.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.453 ' CD1' HD21 ' A' ' 122' ' ' LEU . 18.1 tp -88.23 115.19 25.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 73.4 m -99.47 96.94 8.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.137 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 8.1 mt -89.46 123.22 33.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . 0.562 ' CZ ' ' HB2' ' A' ' 13' ' ' SER . 19.3 t80 -108.98 105.91 15.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 42.5 t -106.36 136.75 45.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -121.81 113.48 19.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 59.1 t -105.75 131.44 55.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 15.1 m -118.73 117.66 29.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.838 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 57.7 t -88.74 120.27 37.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.123 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 34.7 m -73.76 128.28 36.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.129 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -125.23 164.1 21.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.931 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -121.9 -10.19 8.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.893 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 5.2 t -76.05 48.92 0.52 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 35.3 m -88.14 40.77 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.107 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -117.76 -60.8 1.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 73.2 mt -48.52 98.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.15 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 73.8 m -141.29 119.52 12.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . -66.04 168.81 32.55 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.506 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -54.83 126.74 25.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.8 0.333 . . . . 0.0 110.885 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 35.9 t -62.4 133.84 55.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -87.55 -166.79 42.87 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.451 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 146.62 60.53 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.666 2.244 . . . . 0.0 112.352 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 2.3 t -139.61 160.16 40.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.864 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 3.3 m -99.07 156.22 17.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.821 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.485 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.1 p -88.36 -44.36 10.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.85 0.357 . . . . 0.0 110.853 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.0 m -85.75 89.67 7.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.72 103.67 0.2 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.436 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.1 t -66.42 92.82 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.871 0.367 . . . . 0.0 110.839 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -71.05 118.43 13.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.76 -90.66 0.12 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.494 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 69.7 tttt -64.76 148.33 51.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.806 0.336 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.456 ' CG2' ' HD2' ' A' ' 11' ' ' LYS . 2.4 p -140.44 127.39 22.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.124 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 94.3 t -91.07 96.98 6.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.136 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.456 ' HD2' ' CG2' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -90.59 158.6 16.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.568 ' CE2' ' HB ' ' A' ' 141' ' ' VAL . 5.0 p90 -167.97 137.67 2.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.883 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 59.9 p -111.63 153.24 26.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.735 ' CD2' ' CD2' ' A' ' 37' ' ' PHE . 16.3 t80 -139.03 117.65 12.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.934 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 29.0 ttm -86.94 124.55 33.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.472 ' CZ2' HD12 ' A' ' 18' ' ' ILE . 11.3 t90 -123.47 103.14 8.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.4 m -94.06 117.77 30.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.472 HD12 ' CZ2' ' A' ' 16' ' ' TRP . 78.0 mt -97.4 102.46 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -66.92 134.06 51.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.424 ' N ' ' OD1' ' A' ' 20' ' ' ASN . 0.8 OUTLIER 64.8 44.97 3.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -55.46 -31.5 62.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 78.6 p -69.42 -16.86 63.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.797 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.435 ' O ' ' C ' ' A' ' 24' ' ' CYS . 3.3 m-85 -92.51 16.6 11.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.435 ' C ' ' O ' ' A' ' 23' ' ' PHE . 2.7 p -34.87 104.13 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.882 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -90.88 -25.59 19.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -47.94 125.16 8.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.408 ' HB2' ' CG ' ' A' ' 30' ' ' GLU . 22.9 mm-40 -53.65 173.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.468 ' N ' ' HD3' ' A' ' 54' ' ' LYS . 2.2 ttm -53.35 -74.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.432 ' N ' ' CG ' ' A' ' 28' ' ' MET . . . -59.16 -43.75 96.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.455 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.408 ' CG ' ' HB2' ' A' ' 27' ' ' GLU . 7.0 mm-40 -42.77 164.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.913 0.387 . . . . 0.0 110.903 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.425 ' HB ' ' ND2' ' A' ' 52' ' ' ASN . 7.6 p -146.79 143.91 20.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.09 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 25.3 mt -89.6 100.54 11.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.183 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.1 mttt -84.64 121.03 27.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 77.3 p -76.92 170.12 17.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.2 m -66.12 173.71 2.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.844 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 43.0 p -87.94 125.4 34.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.165 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.735 ' CD2' ' CD2' ' A' ' 14' ' ' TYR . 45.4 p90 -122.52 142.11 50.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.85 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.3 p -134.17 -178.58 5.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.839 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.4 p -49.88 -46.63 51.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.843 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 130.81 47.41 0.13 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.526 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -174.01 171.24 3.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.764 0.316 . . . . 0.0 111.128 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 33.9 p30 -48.82 102.65 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -146.81 171.15 15.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.2 mmtt -117.41 -34.37 4.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.65 104.66 2.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 51.0 mmtt -105.9 170.32 7.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 59.6 m95 -144.73 152.93 41.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.93 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.6 p -144.13 153.66 42.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.416 ' CD2' HD23 ' A' ' 68' ' ' LEU . 90.8 mt -110.25 137.25 48.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 49.6 mtp180 -112.11 103.6 11.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.835 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 76.5 t -106.57 144.24 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.151 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.425 ' ND2' ' HB ' ' A' ' 31' ' ' VAL . 0.5 OUTLIER -134.47 102.35 11.69 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.665 0.745 . . . . 0.0 110.858 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -44.03 2.3 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.671 2.248 . . . . 0.0 112.31 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.468 ' HD3' ' N ' ' A' ' 28' ' ' MET . 30.0 tttp -80.15 -3.33 48.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 68.42 150.79 0.3 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.7 -55.87 25.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.83 0.348 . . . . 0.0 110.91 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.488 ' CG ' ' N ' ' A' ' 58' ' ' GLU . 14.6 t70 -136.09 171.54 14.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.488 ' N ' ' CG ' ' A' ' 57' ' ' ASP . 16.7 mp0 -52.44 -19.85 2.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -58.14 -46.05 86.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.5 p -124.09 50.41 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.7 ptmm? -84.89 -29.92 24.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -66.62 -56.88 8.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.521 ' CD2' ' HG2' ' A' ' 118' ' ' ARG . 0.3 OUTLIER -89.09 177.3 6.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.969 -179.879 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.1 tt -96.51 156.23 16.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.4 t -117.36 114.5 23.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.825 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.449 HD22 ' CE2' ' A' ' 84' ' ' PHE . 6.0 tt -127.08 114.18 17.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.946 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -119.45 148.67 42.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.449 HD12 ' CE1' ' A' ' 105' ' ' PHE . 2.0 tm? -92.36 107.18 19.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.919 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.424 ' HG ' ' N ' ' A' ' 70' ' ' LEU . 6.7 tp -102.32 152.69 20.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.923 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.424 ' N ' ' HG ' ' A' ' 69' ' ' LEU . 15.8 tp -102.26 94.44 5.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -47.54 -66.81 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.9 t -143.36 143.63 31.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.892 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 31.4 p -136.1 142.67 40.97 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.584 0.707 . . . . 0.0 110.936 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -43.98 2.33 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.689 2.26 . . . . 0.0 112.334 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.3 pttm -97.8 159.01 15.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 t -45.81 -61.25 1.8 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.822 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -123.26 159.35 28.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.5 p -149.65 140.44 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.7 mtt-85 -107.67 121.74 45.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -151.19 156.39 40.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.068 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 37.9 mttt -103.69 143.94 32.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -124.29 153.31 41.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.41 ' HD2' ' C ' ' A' ' 83' ' ' LYS . 1.2 tmmt? -146.95 126.7 13.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.926 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.449 ' CE2' HD22 ' A' ' 66' ' ' LEU . 12.6 m-85 -104.22 136.52 43.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.469 ' CB ' ' HB2' ' A' ' 96' ' ' ALA . 32.6 p -149.42 162.81 39.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 26.3 mt -121.69 132.15 71.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.137 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.5 mt -98.53 105.89 18.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.592 ' ND2' ' H ' ' A' ' 92' ' ' GLU . 0.4 OUTLIER -59.93 -176.37 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -54.54 -28.53 46.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.103 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.02 13.97 8.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.917 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.79 25.46 52.1 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.484 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.592 ' H ' ' ND2' ' A' ' 88' ' ' ASN . 23.6 mt-10 -102.65 142.58 33.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.807 0.336 . . . . 0.0 110.915 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -63.82 134.17 54.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.891 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.8 t -156.36 146.7 21.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.148 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 51.8 mmtt 54.51 46.09 25.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.469 ' HB2' ' CB ' ' A' ' 85' ' ' SER . . . -100.28 156.02 17.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.127 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 20.9 mtm -127.03 122.24 33.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -94.88 158.89 15.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 53.7 p -103.52 159.79 15.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.878 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -77.73 -66.23 0.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -133.71 167.34 20.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.51 161.63 30.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.088 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -126.53 169.13 13.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.899 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 23.3 ttm180 -80.29 99.49 7.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.449 ' CE1' HD12 ' A' ' 68' ' ' LEU . 35.3 m-85 -90.46 142.01 28.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 17.0 m -149.74 146.87 16.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.101 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -40.17 100.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.927 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 104.41 20.37 10.35 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.491 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 20.9 tptt -102.91 145.37 29.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.806 0.336 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -130.2 123.78 31.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 71.1 m95 -138.51 115.32 10.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -171.73 -154.83 10.27 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.48 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -120.64 145.9 46.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.981 0.42 . . . . 0.0 110.878 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.8 tttt -75.77 -59.53 2.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -88.6 92.89 9.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -84.52 -56.75 3.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.873 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.486 HG13 ' N ' ' A' ' 118' ' ' ARG . 7.3 tp -157.91 153.42 6.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.521 ' HG2' ' CD2' ' A' ' 63' ' ' TYR . 28.4 mtt180 -75.69 107.51 7.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.814 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.409 ' NH2' ' SG ' ' A' ' 24' ' ' CYS . 37.4 mtp180 -38.51 -45.24 1.03 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -53.45 -42.06 66.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.593 ' CE1' ' OD1' ' A' ' 127' ' ' ASN . 65.8 t80 -63.68 -32.44 73.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.451 HD23 ' CG2' ' A' ' 117' ' ' ILE . 12.6 mt -73.69 -56.97 4.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.6 mp -61.41 -25.37 67.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.94 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.492 ' OD2' ' N ' ' A' ' 126' ' ' ALA . 13.2 t70 -54.64 159.15 2.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -100.21 -33.99 10.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . 0.492 ' N ' ' OD2' ' A' ' 124' ' ' ASP . . . -45.33 -38.07 5.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.085 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . 0.593 ' OD1' ' CE1' ' A' ' 121' ' ' PHE . 8.8 m-80 -86.38 -40.0 15.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.973 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 74.18 38.61 46.53 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.455 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 73.4 mt -78.73 -22.08 47.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.818 0.342 . . . . 0.0 110.919 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.5 mt -133.61 84.65 44.77 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.594 0.711 . . . . 0.0 110.891 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -23.58 30.82 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.669 2.246 . . . . 0.0 112.36 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -133.39 28.33 4.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 20' ' ' ASN . 4.3 m-20 64.99 27.07 12.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.835 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 6.5 mtpt -112.71 124.04 51.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 67.5 tp -96.81 95.38 7.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.962 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 81.8 m -80.52 95.45 6.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.185 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 17.0 mt -90.7 115.6 27.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -98.35 109.65 22.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 42.0 t -104.23 150.17 24.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.874 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -134.77 115.04 13.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . 0.568 ' HB ' ' CE2' ' A' ' 12' ' ' PHE . 22.4 t -107.21 139.6 28.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.109 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.2 m -126.85 107.19 9.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 47.9 t -87.26 110.53 20.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.174 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.407 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 19.4 m -66.83 115.72 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -113.21 155.19 25.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -57.3 171.29 0.42 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 8.6 t -93.04 106.51 18.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 2.7 m -128.55 123.24 59.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -138.02 106.63 5.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.841 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 37.4 mt -43.48 137.59 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 84.9 p -110.73 114.01 27.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 140.06 104.82 0.6 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.528 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -61.29 99.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.856 0.36 . . . . 0.0 110.938 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 7.9 m -134.78 174.42 10.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -112.05 -150.63 11.39 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.494 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 116.52 4.6 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.697 2.265 . . . . 0.0 112.302 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 25.3 m -85.74 162.36 18.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 3.6 m -135.94 113.27 10.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.487 -179.98 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.0 p -51.44 164.01 0.23 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.891 0.377 . . . . 0.0 110.869 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.7 p -136.96 149.88 47.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.823 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.91 -150.46 18.29 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.493 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.8 t -139.71 148.39 42.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.892 0.377 . . . . 0.0 110.823 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.3 p -47.2 -51.98 17.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.814 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 43.71 -132.72 6.17 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.501 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.422 ' HD3' ' N ' ' A' ' 9' ' ' VAL . 0.8 OUTLIER -68.33 145.23 54.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 110.877 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.499 ' CG2' ' N ' ' A' ' 10' ' ' VAL . 2.2 p -129.36 159.59 41.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.186 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.499 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 57.5 t -111.78 99.99 9.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.15 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.478 ' HG2' ' CB ' ' A' ' 142' ' ' SER . 18.5 mtmt -108.5 160.61 15.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.566 ' CZ ' ' HB ' ' A' ' 141' ' ' VAL . 34.0 p90 -159.26 135.23 8.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.831 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.483 ' HB2' ' CE1' ' A' ' 138' ' ' PHE . 93.9 p -107.29 132.17 53.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.828 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -122.35 115.93 23.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.87 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 32.9 ttm -87.14 119.14 27.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.93 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 8.9 t90 -118.54 99.52 6.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.2 m -90.63 126.94 36.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.151 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 29.5 mt -106.73 100.81 11.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.8 127.54 33.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 74.76 44.21 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -54.55 -38.15 66.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.4 t -67.36 -13.59 62.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -94.76 18.23 12.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 27.4 p -41.3 123.66 2.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 49.2 mmt-85 -114.0 49.17 1.02 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -130.25 89.7 2.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 28' ' ' MET . 2.4 tt0 -42.99 157.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.42 ' C ' ' O ' ' A' ' 27' ' ' GLU . 5.8 ttm -36.79 134.65 0.48 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 96.55 -61.66 1.2 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.507 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -40.39 140.7 0.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.858 0.361 . . . . 0.0 110.922 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.418 HG22 ' N ' ' A' ' 32' ' ' ILE . 11.9 p -121.98 142.92 36.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.109 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.418 ' N ' HG22 ' A' ' 31' ' ' VAL . 48.6 mt -91.31 112.35 25.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.4 mtmp? -95.0 130.68 41.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.861 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 87.2 p -94.13 178.51 5.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.7 m -64.97 -179.15 0.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.829 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.6 p -102.22 121.23 41.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.105 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.426 ' CD1' ' N ' ' A' ' 37' ' ' PHE . 3.3 p90 -120.35 140.47 51.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 89.3 p -138.43 -178.01 5.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.8 p -89.76 77.63 7.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.817 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.9 140.79 9.18 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.51 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -42.14 -59.99 1.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.818 0.342 . . . . 0.0 111.136 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -80.76 88.5 5.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -150.77 124.64 9.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.1 mmmm -73.42 -44.24 58.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 53.5 tp -66.56 113.19 4.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 57.9 mmtt -111.41 164.98 12.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.414 ' C ' HG12 ' A' ' 71' ' ' VAL . 72.1 m95 -142.63 152.57 42.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.499 ' HG ' ' N ' ' A' ' 49' ' ' LEU . 8.4 t -141.42 149.42 41.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.499 ' N ' ' HG ' ' A' ' 48' ' ' CYS . 40.6 mt -106.0 136.21 46.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 25.3 mtt180 -113.27 104.65 12.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 77.9 t -105.33 142.4 18.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -132.33 102.35 14.27 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.676 0.75 . . . . 0.0 110.918 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 -27.18 27.02 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.73 2.286 . . . . 0.0 112.332 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -100.19 -12.32 19.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 80.61 -161.26 44.29 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.511 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 15.3 mt -113.62 -48.12 2.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.821 0.343 . . . . 0.0 110.932 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.44 156.87 43.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -39.64 -34.2 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -55.04 -58.66 6.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.457 ' HB2' ' CE ' ' A' ' 114' ' ' LYS . 9.4 t -94.21 38.9 1.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.423 ' CG ' ' N ' ' A' ' 62' ' ' ASP . 18.1 ptmt -84.72 -45.56 12.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.929 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.423 ' N ' ' CG ' ' A' ' 61' ' ' LYS . 1.6 m-20 -66.48 -38.3 86.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.442 ' CE2' ' CG ' ' A' ' 118' ' ' ARG . 4.9 m-85 -97.37 161.01 13.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.892 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.6 tt -90.99 155.95 18.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.951 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.4 t -120.61 119.53 33.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.504 HD22 ' CG ' ' A' ' 84' ' ' PHE . 42.9 tp -127.04 116.76 21.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.862 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -124.47 147.46 48.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 22.4 tp -94.92 106.55 18.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.1 tp -99.97 137.45 38.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.423 ' CD2' ' HB3' ' A' ' 73' ' ' CYS . 7.3 tp -86.97 86.29 7.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.946 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.414 HG12 ' C ' ' A' ' 47' ' ' TRP . 0.2 OUTLIER -38.25 -65.74 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 179.819 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.9 m -144.46 146.28 32.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.839 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.423 ' HB3' ' CD2' ' A' ' 70' ' ' LEU . 31.1 p -138.44 143.16 37.38 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.619 0.724 . . . . 0.0 110.901 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -38.92 7.1 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.685 2.256 . . . . 0.0 112.342 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 76' ' ' SER . 24.5 pttt -105.15 146.45 29.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 75' ' ' LYS . 3.1 m -36.31 -69.41 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -112.88 154.54 26.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.5 p -145.52 144.47 21.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.13 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 22.7 mtp180 -107.36 124.48 49.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.45 163.08 38.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 24.6 mttp -107.99 178.01 4.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.469 ' CE1' ' OG ' ' A' ' 99' ' ' SER . 28.6 p90 -159.24 150.07 19.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -148.0 122.83 9.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.504 ' CG ' HD22 ' A' ' 66' ' ' LEU . 30.4 m-85 -102.57 139.09 38.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.423 ' CB ' ' HB1' ' A' ' 96' ' ' ALA . 50.2 p -152.69 159.62 43.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.42 ' O ' ' N ' ' A' ' 94' ' ' THR . 18.7 mt -117.75 137.81 50.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.104 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.409 ' N ' HG22 ' A' ' 86' ' ' ILE . 4.9 mt -100.99 106.09 17.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.944 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.556 ' ND2' ' H ' ' A' ' 92' ' ' GLU . 0.5 OUTLIER -59.68 -175.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.42 -32.0 47.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.24 14.92 3.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.88 25.25 52.32 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.512 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.556 ' H ' ' ND2' ' A' ' 88' ' ' ASN . 12.8 mt-10 -105.29 142.87 34.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.803 0.335 . . . . 0.0 110.893 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -58.45 139.33 55.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 86' ' ' ILE . 2.3 t -159.12 138.26 11.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.139 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 49.9 mmtt 59.03 47.62 11.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.922 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.423 ' HB1' ' CB ' ' A' ' 85' ' ' SER . . . -96.45 167.06 11.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.105 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.477 ' CE ' ' CG ' ' A' ' 113' ' ' PHE . 8.9 mtm -136.87 130.17 31.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -96.88 161.5 13.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.469 ' OG ' ' CE1' ' A' ' 82' ' ' PHE . 16.0 m -100.83 158.55 15.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -75.91 -46.99 27.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.919 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.8 ptp85 -165.05 178.74 6.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.83 131.01 37.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -102.59 161.37 13.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.95 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 23.4 ttp180 -73.48 97.51 2.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -84.68 151.17 24.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.442 ' CG2' ' HB2' ' A' ' 109' ' ' LYS . 15.9 m -154.07 148.81 13.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.108 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -42.57 96.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.932 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 105.32 20.2 9.88 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.484 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.442 ' HB2' ' CG2' ' A' ' 106' ' ' VAL . 14.5 tptt -96.98 144.4 26.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.788 0.328 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.24 118.28 23.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 73.2 m95 -134.12 125.09 27.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 178.93 -141.07 4.73 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.526 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.477 ' CG ' ' CE ' ' A' ' 97' ' ' MET . 17.9 m-85 -127.75 159.01 36.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.941 0.401 . . . . 0.0 110.887 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.457 ' CE ' ' HB2' ' A' ' 60' ' ' SER . 64.9 tttt -88.77 -50.96 5.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.914 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.402 ' HD2' ' CD1' ' A' ' 63' ' ' TYR . 12.0 mmtp -104.99 95.11 5.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -83.33 -57.31 3.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.508 HG13 ' N ' ' A' ' 118' ' ' ARG . 6.3 tp -155.53 151.14 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.508 ' N ' HG13 ' A' ' 117' ' ' ILE . 4.7 mtp180 -68.33 116.17 8.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 25.7 ttp85 -50.16 -38.46 39.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -62.32 -40.24 95.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.478 ' CZ ' ' CG ' ' A' ' 127' ' ' ASN . 58.1 t80 -57.46 -48.12 80.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.437 ' HA ' ' CD1' ' A' ' 129' ' ' LEU . 6.5 mp -53.77 -67.19 0.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.958 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.458 ' N ' HD13 ' A' ' 123' ' ' LEU . 4.6 mp -50.85 -36.43 37.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.95 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -43.17 144.76 0.61 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -84.86 -34.5 22.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -42.15 -43.66 3.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . 0.478 ' CG ' ' CZ ' ' A' ' 121' ' ' PHE . 4.5 m-20 -87.55 -41.53 13.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 69.68 35.19 73.64 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.523 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.437 ' CD1' ' HA ' ' A' ' 122' ' ' LEU . 43.2 mt -65.17 -17.21 64.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.875 0.369 . . . . 0.0 110.904 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.4 mt -132.65 80.07 62.81 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.61 0.719 . . . . 0.0 110.917 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -20.48 34.8 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.66 2.24 . . . . 0.0 112.37 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -124.48 27.42 6.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.878 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 59.03 25.17 13.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 11.7 ptpt -127.06 130.83 50.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 55.2 tp -95.35 128.79 42.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 97.5 m -107.04 98.36 8.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 9.1 mt -89.86 117.74 28.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.968 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . 0.483 ' CE1' ' HB2' ' A' ' 13' ' ' SER . 16.2 t80 -103.91 103.81 13.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 24.6 t -105.83 151.95 23.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -135.86 122.22 20.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . 0.566 ' HB ' ' CZ ' ' A' ' 12' ' ' PHE . 25.7 t -109.96 142.67 21.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.125 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' SER . . . . . 0.478 ' CB ' ' HG2' ' A' ' 11' ' ' LYS . 0.9 OUTLIER -126.21 113.47 17.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.888 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 46.8 t -93.84 117.8 38.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.132 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.445 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 34.9 m -81.19 95.43 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.191 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . 0.444 ' O ' ' C ' ' A' ' 146' ' ' ASP . 1.3 pt20 -134.52 106.1 6.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.929 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 145' ' ' GLN . 43.3 m-20 -34.48 -74.76 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.8 m -167.71 106.74 0.54 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 24.3 m -140.83 154.04 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . 0.424 ' O ' ' C ' ' A' ' 150' ' ' ILE . 7.5 p30 -173.31 129.25 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . 0.424 ' C ' ' O ' ' A' ' 149' ' ' ASN . 5.3 mp -34.1 106.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.095 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 4.1 m -56.77 110.86 0.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 117.6 -142.39 17.19 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.487 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -127.61 98.5 5.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.835 0.35 . . . . 0.0 110.897 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 4.9 t -127.67 109.98 12.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -141.68 -172.43 13.37 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.457 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 87.97 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.678 2.252 . . . . 0.0 112.348 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 76.7 p -136.98 113.5 10.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 159' ' ' GLY . 35.3 p -69.3 155.2 40.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.894 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 158' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.498 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.2 m -109.26 155.69 20.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.845 0.355 . . . . 0.0 110.859 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -46.88 131.9 11.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.873 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.9 -163.99 24.75 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.457 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.9 m 58.86 45.21 15.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.862 0.363 . . . . 0.0 110.883 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 t -93.43 83.46 4.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.76 -130.73 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.527 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.05 141.69 58.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.801 0.334 . . . . 0.0 110.873 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.3 p -141.2 117.21 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 87.1 t -96.35 103.67 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.13 164.71 12.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -151.1 141.03 21.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 83.0 p -109.16 130.25 55.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.721 ' CD2' ' CD2' ' A' ' 37' ' ' PHE . 34.5 t80 -125.59 118.74 26.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.943 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 37.4 ttm -93.26 115.94 28.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.461 ' CZ3' HG23 ' A' ' 51' ' ' VAL . 9.6 t90 -115.15 101.98 9.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.4 m -93.6 115.25 27.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 30.7 mt -91.8 99.62 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.172 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.466 ' H ' ' ND2' ' A' ' 19' ' ' ASN . 0.4 OUTLIER -67.56 138.21 56.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.4 m120 64.31 43.88 4.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -54.07 -30.36 47.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.5 t -69.26 -21.74 63.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -85.35 19.78 2.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.7 p -48.99 121.64 4.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 26' ' ' GLU . 2.4 tmm_? -99.75 -45.98 5.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 25' ' ' ARG . 8.4 mp0 -36.55 105.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -62.27 -177.45 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 8.5 ttm -53.36 145.08 15.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.859 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.02 -50.39 4.16 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.496 ' O ' ' ND2' ' A' ' 52' ' ' ASN . 21.5 mt-10 -47.64 153.64 0.55 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.873 0.368 . . . . 0.0 110.889 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.7 p -131.74 152.48 37.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.9 mt -104.41 101.57 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.09 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.0 mtmp? -88.46 121.3 30.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 83.9 p -87.74 163.16 16.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.7 m -49.03 176.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 24.7 p -90.45 124.13 34.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.167 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.721 ' CD2' ' CD2' ' A' ' 14' ' ' TYR . 22.9 p90 -119.88 137.66 53.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 72.7 m -139.56 -176.42 4.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.823 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 95.9 p -76.67 -12.88 60.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.888 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -164.8 156.31 28.19 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.52 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -48.63 -54.51 14.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.809 0.338 . . . . 0.0 111.144 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -92.13 81.96 5.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' ' 45' ' ' LEU . 11.5 t0 -131.62 94.09 3.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 43' ' ' ASP . 23.6 mmtt -35.29 -32.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.499 HD21 ' CE2' ' A' ' 47' ' ' TRP . 3.0 tt -92.39 129.98 38.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -120.27 160.01 23.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.499 ' CE2' HD21 ' A' ' 45' ' ' LEU . 73.0 m95 -138.49 155.3 48.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.938 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 31.0 p -144.08 161.2 39.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.41 HD22 ' CD2' ' A' ' 68' ' ' LEU . 11.1 mt -117.53 137.55 52.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 26.0 mtp180 -114.0 109.24 18.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.461 HG23 ' CZ3' ' A' ' 16' ' ' TRP . 44.4 t -111.8 142.18 24.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 30' ' ' GLU . 6.0 m120 -134.82 101.71 11.54 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.585 0.707 . . . . 0.0 110.904 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.469 ' HA ' ' CD2' ' A' ' 64' ' ' LEU . 53.8 Cg_endo -69.76 -12.22 32.45 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.637 2.225 . . . . 0.0 112.37 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.6 mtpt -114.91 11.85 16.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 59.01 176.38 0.78 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -81.11 -36.77 29.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.761 0.315 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.481 ' CG ' ' N ' ' A' ' 58' ' ' GLU . 14.5 t70 -147.57 171.6 15.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.843 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.481 ' N ' ' CG ' ' A' ' 57' ' ' ASP . 51.2 mt-10 -52.56 -16.46 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 60.0 tt0 -61.4 -61.03 2.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.866 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 27.5 t -106.77 41.37 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.865 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.9 ptmm? -75.23 -30.77 60.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.866 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -77.52 -34.85 53.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.522 ' CD1' ' HG2' ' A' ' 118' ' ' ARG . 8.1 m-85 -92.4 160.24 15.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.469 ' CD2' ' HA ' ' A' ' 53' ' ' PRO . 3.2 tm? -88.99 124.3 34.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.958 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.4 m -96.19 129.87 43.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.425 ' CD1' HG22 ' A' ' 51' ' ' VAL . 33.4 tp -138.39 131.24 29.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -134.82 152.44 51.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.542 ' CD1' ' C ' ' A' ' 68' ' ' LEU . 1.5 tm? -101.19 111.55 23.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.931 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.433 ' HG ' ' N ' ' A' ' 70' ' ' LEU . 8.7 tp -101.88 154.83 18.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 71' ' ' VAL . 39.9 tp -104.27 82.45 1.95 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.905 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.435 ' C ' ' O ' ' A' ' 70' ' ' LEU . 1.4 p -35.1 -57.87 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 12.2 t -155.51 152.12 28.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 16.8 p -142.13 144.88 33.44 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.655 0.74 . . . . 0.0 110.866 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.46 ' CD ' ' HG ' ' A' ' 45' ' ' LEU . 53.9 Cg_endo -69.74 -50.91 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.745 2.297 . . . . 0.0 112.324 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.7 pttm -90.9 164.7 13.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 20.4 m -42.7 -60.04 1.71 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -134.95 159.4 41.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.844 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.7 p -139.75 140.34 36.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.159 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 15.6 mtp180 -107.89 128.8 54.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.851 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.72 157.69 33.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.123 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 29.9 mttp -102.43 131.34 49.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -113.19 147.67 36.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.3 tmmm? -140.57 127.34 20.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.937 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -105.83 137.67 43.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 44.2 p -150.88 156.69 41.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 37.8 mt -114.96 127.22 72.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.101 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.3 mt -89.87 114.11 25.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.956 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.445 ' C ' ' OD1' ' A' ' 88' ' ' ASN . 33.2 p30 -64.71 -176.3 0.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.0 -36.3 60.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.077 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.442 ' N ' ' OD1' ' A' ' 88' ' ' ASN . 0.1 OUTLIER -86.66 21.39 2.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.913 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 55.21 31.12 56.21 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -102.68 134.98 45.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.805 0.335 . . . . 0.0 110.862 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -62.13 132.29 52.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.416 HG22 ' CD2' ' A' ' 129' ' ' LEU . 6.1 t -153.62 143.28 21.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.177 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.438 ' HG3' ' CD1' ' A' ' 117' ' ' ILE . 58.3 mmtt 60.22 50.13 6.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.928 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -99.96 161.47 13.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.11 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.501 ' HE3' ' CG ' ' A' ' 113' ' ' PHE . 15.4 mtm -133.6 130.62 38.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -106.25 168.39 9.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.843 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 9.2 t -113.82 160.23 18.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.95 -23.09 27.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.6 ttp-105 -164.47 168.84 17.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.14 165.07 25.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.099 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -125.22 154.37 41.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -70.98 103.48 2.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.489 ' CE1' HD13 ' A' ' 68' ' ' LEU . 17.1 m-85 -94.97 114.82 26.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.46 ' CG2' ' HB2' ' A' ' 109' ' ' LYS . 16.2 m -121.8 158.44 25.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.162 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -45.9 105.5 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 89.64 28.71 18.28 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.462 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.46 ' HB2' ' CG2' ' A' ' 106' ' ' VAL . 19.8 tptt -102.37 140.93 36.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.825 0.345 . . . . 0.0 110.853 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -123.47 124.33 42.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -138.64 124.93 20.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 178.68 -159.15 24.09 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.484 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.501 ' CG ' ' HE3' ' A' ' 97' ' ' MET . 21.9 m-85 -113.28 150.67 32.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.951 0.405 . . . . 0.0 110.85 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 29.8 tttt -76.78 -56.86 4.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 34.7 mttm -102.63 101.88 12.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -83.87 -51.0 7.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.556 HD11 ' CD2' ' A' ' 121' ' ' PHE . 3.0 tt -171.13 143.19 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.128 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.522 ' HG2' ' CD1' ' A' ' 63' ' ' TYR . 13.3 mtt180 -48.6 118.16 2.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 26.3 ttp85 -52.46 -39.22 60.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.4 -43.5 98.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.556 ' CD2' HD11 ' A' ' 117' ' ' ILE . 65.4 t80 -53.28 -21.61 5.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.479 ' CD1' ' O ' ' A' ' 118' ' ' ARG . 6.4 mp -82.03 -59.62 2.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.463 ' N ' HD23 ' A' ' 123' ' ' LEU . 2.6 mm? -59.57 -32.8 70.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.916 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -46.35 153.4 0.35 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.871 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -93.21 -33.17 14.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.832 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -41.73 -42.94 2.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.083 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' A' ' 121' ' ' PHE . 0.7 OUTLIER -88.47 -40.4 13.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 72.32 42.03 50.91 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.468 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.416 ' CD2' HG22 ' A' ' 94' ' ' THR . 69.8 mt -77.18 -25.12 51.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.842 0.353 . . . . 0.0 110.893 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 6.4 mt -127.01 79.26 73.22 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.613 0.72 . . . . 0.0 110.912 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -32.41 18.42 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.733 2.289 . . . . 0.0 112.301 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -113.87 27.28 9.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.83 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 57.7 36.6 26.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 8.3 ptpt -133.08 127.19 33.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 64.5 tp -90.9 114.36 26.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 58.3 m -96.07 95.04 7.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.151 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 7.9 mt -87.75 121.14 29.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -106.6 111.21 23.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 18.7 t -110.09 152.49 25.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.884 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -140.75 111.84 7.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 45.6 t -104.74 131.35 54.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -118.22 117.19 28.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 54.3 t -90.62 121.94 41.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 32.8 m -72.89 117.85 17.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 44.3 mm-40 -105.3 175.48 5.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -86.86 156.6 19.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 2.8 m -72.79 109.73 6.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 32.4 m -102.26 145.87 11.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.124 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -42.83 120.71 1.83 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 43.7 mt -41.74 134.34 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 3.9 m -144.94 130.53 18.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 66.27 106.36 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.489 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.64 145.56 27.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.819 0.343 . . . . 0.0 110.93 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 44.6 m -123.48 143.29 50.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -93.77 -169.85 38.54 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.506 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 130.35 19.22 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.67 2.246 . . . . 0.0 112.352 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 4.1 m -62.96 -56.53 16.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 50.0 m -91.8 141.02 29.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.875 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.528 179.99 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.451 -0.259 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m 62.74 42.63 7.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.856 0.36 . . . . 0.0 110.8 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.5 m -83.64 122.96 29.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.43 77.56 0.15 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.498 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.6 p -118.95 128.73 54.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.881 0.372 . . . . 0.0 110.913 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.0 p -90.52 143.88 26.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.62 -155.23 26.49 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.463 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.3 tmmm? -64.97 145.35 56.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.808 0.337 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.3 p -140.11 125.58 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.097 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 73.2 t -93.07 108.54 20.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.7 159.33 23.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.479 ' CD1' ' HB3' ' A' ' 39' ' ' SER . 6.0 p90 -151.59 143.63 23.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.515 ' HB2' ' CE1' ' A' ' 138' ' ' PHE . 91.5 p -107.16 131.67 53.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -122.02 105.73 10.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.92 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.1 ttp -87.45 105.42 17.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.865 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.56 ' CZ3' HG21 ' A' ' 51' ' ' VAL . 8.0 t90 -105.15 112.33 25.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 35.7 m -101.81 132.34 47.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.163 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.408 HD13 ' CZ2' ' A' ' 16' ' ' TRP . 32.3 mt -111.2 101.45 12.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.612 ' H ' ' ND2' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -67.6 134.53 51.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.912 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 68.39 48.98 0.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -59.69 -33.85 72.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.6 t -65.45 -21.02 66.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -81.26 -30.03 34.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.885 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 21.1 m -38.27 109.6 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.902 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 24.8 mmm-85 -125.95 90.37 3.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -121.51 118.79 30.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -42.54 158.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.8 ttm -49.2 131.16 19.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.89 -55.28 1.17 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.478 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -40.18 143.06 0.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.876 0.369 . . . . 0.0 110.884 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.8 p -129.03 154.74 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.127 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.3 mt -100.25 103.28 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.114 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.8 mtmt -84.23 131.74 34.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.548 ' HB3' ' CZ3' ' A' ' 16' ' ' TRP . 77.7 p -94.55 166.91 11.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.842 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.6 m -59.45 170.96 0.89 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.1 p -89.31 120.67 30.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.138 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 12.3 p90 -111.41 154.29 24.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 79.9 p -133.2 -174.86 3.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.479 ' HB3' ' CD1' ' A' ' 12' ' ' PHE . 97.1 p -82.46 48.17 1.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 42.67 46.11 5.79 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.488 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -169.3 169.71 8.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.782 0.325 . . . . 0.0 111.095 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -64.65 81.5 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.881 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -122.46 101.52 7.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.5 mmmt -43.54 -37.63 2.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.535 HD23 ' CE2' ' A' ' 47' ' ' TRP . 1.6 tt -63.43 126.95 29.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.943 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.3 mmtp -115.34 165.26 13.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.535 ' CE2' HD23 ' A' ' 45' ' ' LEU . 78.4 m95 -141.62 155.36 45.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.947 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 17.4 t -146.89 153.2 39.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 73.9 mt -113.18 131.93 55.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.949 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -105.83 105.8 16.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.56 HG21 ' CZ3' ' A' ' 16' ' ' TRP . 82.5 t -107.27 135.87 44.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.137 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.464 ' N ' HG11 ' A' ' 51' ' ' VAL . 65.7 m-80 -127.18 101.5 25.3 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.635 0.731 . . . . 0.0 110.868 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.47 ' HA ' ' CD2' ' A' ' 64' ' ' LEU . 53.8 Cg_endo -69.69 -47.25 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.656 2.237 . . . . 0.0 112.349 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.2 tttp -84.84 35.42 0.57 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 45.21 -167.68 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.441 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 15.7 mt -119.53 -51.35 2.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.798 0.333 . . . . 0.0 110.904 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 59' ' ' GLU . 0.7 OUTLIER -130.97 154.44 48.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.868 179.854 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -37.09 -30.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 57' ' ' ASP . 21.5 tp10 -55.11 -52.66 62.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 57.2 p -119.46 44.21 2.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.6 ptmm? -67.68 -38.86 84.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -99.61 36.06 1.86 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -142.27 149.19 39.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.47 ' CD2' ' HA ' ' A' ' 53' ' ' PRO . 2.0 tm? -88.69 124.93 34.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.2 t -105.79 122.75 46.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 36.5 tp -130.51 113.73 14.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.926 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.586 ' CD2' ' N ' ' A' ' 112' ' ' GLY . 25.8 m-85 -118.61 150.67 39.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.476 ' CD1' ' C ' ' A' ' 68' ' ' LEU . 0.9 OUTLIER -91.58 102.81 15.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.6 tp -96.21 137.99 34.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' ' 71' ' ' VAL . 24.9 tp -93.4 83.39 4.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.447 HG11 ' C ' ' A' ' 47' ' ' TRP . 0.2 OUTLIER -36.06 -61.51 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 179.818 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.403 ' N ' HG23 ' A' ' 71' ' ' VAL . 3.4 m -148.83 159.15 44.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 31.8 p -150.09 143.54 16.7 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.605 0.717 . . . . 0.0 110.869 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -48.95 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.64 2.227 . . . . 0.0 112.357 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.5 pttm -92.36 154.98 18.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 69.2 m -39.87 -59.06 1.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -128.75 154.15 46.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.412 ' CG1' HD23 ' A' ' 70' ' ' LEU . 3.6 p -141.59 142.77 28.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.093 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 27.7 mtp180 -110.53 135.2 51.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -160.16 159.86 32.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 47.7 mttt -104.56 121.48 43.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -109.41 144.66 37.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.838 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.401 ' HD2' ' C ' ' A' ' 83' ' ' LYS . 2.9 tmmm? -140.33 137.34 34.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -112.25 147.61 35.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 28.5 p -159.69 161.76 34.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 36.5 mt -125.32 128.22 72.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.115 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.9 mt -90.51 110.72 21.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.51 ' ND2' ' H ' ' A' ' 92' ' ' GLU . 0.8 OUTLIER -66.35 -173.99 0.24 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -52.29 -37.32 55.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -82.5 14.68 2.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.65 26.06 52.33 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.478 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.51 ' H ' ' ND2' ' A' ' 88' ' ' ASN . 23.1 mm-40 -102.3 134.06 46.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.829 0.347 . . . . 0.0 110.899 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -54.19 130.42 38.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.4 t -148.02 156.31 42.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 45.69 45.67 11.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.887 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -91.89 165.22 13.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.093 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.482 ' CE ' ' CG ' ' A' ' 113' ' ' PHE . 16.4 mtm -140.86 125.06 17.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -107.7 152.15 24.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 37.8 p -96.73 160.07 14.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 14.9 tm0? -67.37 -43.98 80.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 31.1 mtm180 -158.69 176.64 12.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.78 149.78 47.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -113.06 173.6 6.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -85.28 98.44 10.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -89.1 131.31 35.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.467 ' CG2' ' HB2' ' A' ' 109' ' ' LYS . 19.2 m -139.52 157.19 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.105 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -45.38 104.42 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.93 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 91.47 28.37 14.79 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.482 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.467 ' HB2' ' CG2' ' A' ' 106' ' ' VAL . 15.9 tptt -103.2 128.86 50.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.807 0.337 . . . . 0.0 110.944 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -113.85 124.64 52.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.444 ' CD1' ' HG3' ' A' ' 109' ' ' LYS . 89.9 m95 -137.07 118.12 14.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.969 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.586 ' N ' ' CD2' ' A' ' 67' ' ' TYR . . . -176.81 -152.87 10.16 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.49 ' O ' ' CE1' ' A' ' 67' ' ' TYR . 8.2 m-85 -123.77 151.39 43.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.95 0.405 . . . . 0.0 110.877 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 31.8 tttt -75.76 -56.89 4.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 62.7 mttt -100.3 92.83 5.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -82.25 -46.07 14.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.497 HG13 ' N ' ' A' ' 118' ' ' ARG . 7.2 tp -159.64 152.85 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.181 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.497 ' N ' HG13 ' A' ' 117' ' ' ILE . 11.2 mtt85 -74.16 108.64 7.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 31.7 ttt180 -40.68 -43.44 1.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -60.26 -41.31 92.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.593 ' CZ ' ' OD1' ' A' ' 127' ' ' ASN . 33.2 t80 -54.98 -44.97 74.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 6.2 mp -58.48 -62.0 2.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.931 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 7.3 mt -55.65 -36.14 66.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -42.19 145.31 0.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -82.01 -32.05 30.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -47.72 -42.74 25.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.095 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . 0.593 ' OD1' ' CZ ' ' A' ' 121' ' ' PHE . 15.3 m-80 -91.63 -43.21 9.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 65.71 31.63 80.5 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.475 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.468 HD11 ' N ' ' A' ' 129' ' ' LEU . 1.6 mp -57.13 -26.61 60.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.846 0.355 . . . . 0.0 110.887 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 6.6 mt -123.22 81.77 52.02 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.632 0.73 . . . . 0.0 110.948 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -31.42 20.48 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.625 2.217 . . . . 0.0 112.384 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -114.11 27.38 9.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 57.96 31.18 20.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 4.2 ptpt -130.61 131.45 44.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 59.5 tp -95.05 121.06 36.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 88.0 m -100.67 98.9 9.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.409 ' CD1' HG22 ' A' ' 51' ' ' VAL . 10.3 mt -89.54 116.0 27.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.948 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . 0.515 ' CE1' ' HB2' ' A' ' 13' ' ' SER . 4.5 t80 -103.17 102.4 12.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 32.0 t -105.08 145.14 30.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -128.61 115.21 17.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 65.0 t -105.64 134.58 46.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.164 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 16.1 m -124.71 110.63 14.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 59.6 t -86.9 125.11 40.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.167 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 35.3 m -74.23 124.16 31.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.101 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -125.41 171.55 10.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -80.04 142.91 34.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 82.7 p -65.48 106.8 1.5 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 32.9 m -120.3 157.09 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.143 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -81.98 118.97 23.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 50.2 mm -69.17 98.41 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.096 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 39.7 m -85.67 100.81 12.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . -157.13 -177.12 29.94 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.486 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . 0.534 ' N ' ' CD ' ' A' ' 153' ' ' GLN . 0.0 OUTLIER -133.5 103.07 5.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.788 0.328 . . . . 0.0 110.918 -179.88 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 15.3 m -148.83 148.16 29.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.796 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -108.71 142.42 16.07 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.48 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 119.57 6.49 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.632 2.221 . . . . 0.0 112.348 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 25.6 t -51.25 112.0 0.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 3.8 m -86.94 128.34 35.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.835 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 -179.951 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.5 p -106.27 158.29 16.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.866 0.365 . . . . 0.0 110.885 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.9 t -119.71 156.14 31.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.817 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.436 ' HA3' ' CB ' ' A' ' 146' ' ' ASP . . . 144.01 145.06 4.31 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.483 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 t -65.91 162.81 18.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.859 0.361 . . . . 0.0 110.824 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 t -80.34 143.31 33.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.869 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.35 -114.91 0.32 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.499 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.413 ' HD3' ' N ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -67.59 148.87 50.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.817 0.341 . . . . 0.0 110.887 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.413 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 8.9 p -131.74 130.3 61.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 89.7 t -100.17 112.35 32.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.89 164.39 17.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.559 ' CD1' ' HB2' ' A' ' 39' ' ' SER . 1.7 p90 -150.55 145.26 25.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.894 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.545 ' HB2' ' CE1' ' A' ' 138' ' ' PHE . 89.4 p -108.59 126.87 53.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.701 ' CD2' ' CD1' ' A' ' 37' ' ' PHE . 22.6 t80 -119.95 111.49 17.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 35.3 ttm -87.17 115.85 24.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.862 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.465 ' CZ3' HG22 ' A' ' 51' ' ' VAL . 12.8 t90 -116.99 107.7 14.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.918 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.2 m -98.53 124.15 43.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.112 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 33.7 mt -101.53 98.45 6.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.454 ' H ' ' ND2' ' A' ' 19' ' ' ASN . 0.5 OUTLIER -67.48 132.01 46.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 69.15 43.68 1.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.842 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -55.45 -35.34 65.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 72.4 m -62.4 -23.9 67.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -81.17 -29.25 34.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 73.4 m -56.18 96.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -127.49 87.9 2.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -94.31 167.35 11.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -70.04 155.69 40.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.2 tpt -54.38 107.02 0.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 121.81 -50.79 0.82 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.502 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -41.18 160.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.921 0.391 . . . . 0.0 110.869 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.43 HG21 ' N ' ' A' ' 32' ' ' ILE . 10.0 p -144.65 145.48 21.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.082 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.43 ' N ' HG21 ' A' ' 31' ' ' VAL . 19.9 mt -93.61 120.48 43.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.22 130.63 47.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.8 p -93.68 170.82 9.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.48 -174.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 55.0 p -107.81 125.3 51.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.186 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.701 ' CD1' ' CD2' ' A' ' 14' ' ' TYR . 5.4 p90 -117.77 144.65 45.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 95.3 p -136.84 -177.81 4.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.559 ' HB2' ' CD1' ' A' ' 12' ' ' PHE . 4.7 t -103.09 -64.64 1.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.836 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -77.41 -178.49 47.93 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.465 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -94.9 -49.51 5.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.788 0.328 . . . . 0.0 111.087 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -91.62 39.65 1.01 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -98.78 150.02 22.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -107.73 -20.02 13.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.6 tp -73.73 115.68 13.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.447 ' CB ' HG11 ' A' ' 71' ' ' VAL . 36.4 mmtm -114.18 161.28 18.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.403 ' C ' HG12 ' A' ' 71' ' ' VAL . 63.6 m95 -138.24 154.09 49.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.925 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 12.3 t -141.56 149.2 40.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 43.2 mt -105.28 136.41 44.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -111.66 109.39 19.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.465 HG22 ' CZ3' ' A' ' 16' ' ' TRP . 61.5 t -105.75 143.44 16.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.402 ' HA ' ' HD2' ' A' ' 53' ' ' PRO . 1.0 OUTLIER -134.68 102.83 11.25 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.606 0.717 . . . . 0.0 110.863 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 52' ' ' ASN . 53.3 Cg_endo -69.75 -46.34 1.27 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.693 2.262 . . . . 0.0 112.317 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.4 tttm -83.56 -13.75 53.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.99 148.55 4.32 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.464 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 31.8 mt -51.5 -46.39 63.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.781 0.324 . . . . 0.0 110.877 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -146.09 163.31 35.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -46.75 -21.77 0.23 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -51.59 -52.55 46.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -117.48 50.74 1.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.1 ptmm? -82.86 -36.05 25.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.952 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -62.01 -50.48 71.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.453 ' CD1' ' CG ' ' A' ' 115' ' ' LYS . 0.3 OUTLIER -95.73 166.58 11.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.947 -179.875 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.0 tp -89.03 142.54 27.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 28.6 t -109.21 102.95 11.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.805 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.465 ' CD2' ' CD1' ' A' ' 84' ' ' PHE . 34.3 tp -108.06 139.11 43.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.921 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.474 ' CD2' ' N ' ' A' ' 112' ' ' GLY . 37.7 m-85 -144.53 153.05 41.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 41.1 tp -97.83 105.26 17.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.93 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.8 tp -93.79 135.77 34.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.421 ' CD2' ' HB3' ' A' ' 73' ' ' CYS . 53.5 tp -89.47 87.0 6.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.945 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.447 HG11 ' CB ' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -40.84 -63.78 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.853 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.3 m -146.65 142.87 28.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.421 ' HB3' ' CD2' ' A' ' 70' ' ' LEU . 28.2 p -134.38 140.18 35.03 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.598 0.713 . . . . 0.0 110.93 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -36.27 11.07 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.682 2.255 . . . . 0.0 112.352 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.8 pttm -105.78 152.32 23.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.2 m -39.68 -57.25 1.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.826 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -128.97 155.83 44.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.4 p -145.35 136.96 20.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.104 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 22.6 mtt-85 -106.01 133.11 51.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -159.35 155.98 27.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.145 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 55.1 mttt -101.83 125.01 48.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -110.46 153.6 24.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.1 tmmm? -146.8 126.83 13.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.465 ' CD1' ' CD2' ' A' ' 66' ' ' LEU . 31.5 m-85 -103.76 153.37 20.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 62.7 p -165.71 160.01 16.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 18.3 mt -119.67 127.57 75.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.1 mt -90.99 109.8 21.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.947 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' A' ' 90' ' ' LYS . 26.1 p30 -57.66 -176.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.15 -32.43 64.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.071 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.453 ' N ' ' OD1' ' A' ' 88' ' ' ASN . 3.5 mptt -88.01 20.24 3.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.942 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 55.48 33.15 58.53 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.459 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -108.6 135.84 49.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.809 0.338 . . . . 0.0 110.846 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -57.29 137.66 55.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.7 t -161.6 143.47 11.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.125 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 42.2 mmtt 56.65 45.15 22.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -94.6 167.16 11.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.103 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.506 ' HE3' ' CG ' ' A' ' 113' ' ' PHE . 13.7 mtm -141.21 118.85 11.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -92.75 161.68 14.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.837 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 85.7 p -104.15 158.36 16.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -81.27 -72.4 0.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.93 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 5.9 mpt_? -122.45 156.33 34.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.95 144.72 57.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.071 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -107.97 165.41 11.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 18.7 ttm180 -85.42 103.46 14.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.855 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.573 ' CE1' ' HB2' ' A' ' 111' ' ' TRP . 44.8 m-85 -91.52 151.63 20.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.463 ' CG2' ' HB2' ' A' ' 109' ' ' LYS . 29.4 m -151.89 165.07 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.122 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -52.17 106.01 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 91.49 22.56 31.25 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.543 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.463 ' HB2' ' CG2' ' A' ' 106' ' ' VAL . 11.4 tptt -95.57 150.62 20.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.824 0.345 . . . . 0.0 110.89 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -135.05 121.24 20.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.573 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 81.9 m95 -137.07 128.8 28.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.474 ' N ' ' CD2' ' A' ' 67' ' ' TYR . . . 177.81 -142.07 5.46 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.521 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.506 ' CG ' ' HE3' ' A' ' 97' ' ' MET . 21.1 m-85 -127.23 151.24 48.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.915 0.388 . . . . 0.0 110.87 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 34.0 tttt -81.75 -56.43 4.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.453 ' CG ' ' CD1' ' A' ' 63' ' ' TYR . 0.3 OUTLIER -96.34 94.88 7.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.882 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -83.38 -50.79 7.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.857 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.436 HG22 ' CD2' ' A' ' 122' ' ' LEU . 4.1 tt -170.82 148.59 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 19.9 mtm180 -60.69 114.21 2.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.471 ' HA ' ' CD1' ' A' ' 122' ' ' LEU . 20.6 ttt180 -52.98 -39.17 62.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.01 -26.5 66.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.489 ' CD2' HD12 ' A' ' 129' ' ' LEU . 71.5 t80 -77.76 -39.35 44.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.471 ' CD1' ' HA ' ' A' ' 119' ' ' ARG . 9.1 mt -58.46 -48.57 80.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.95 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.448 HD12 ' N ' ' A' ' 123' ' ' LEU . 6.2 mp -70.1 -41.83 73.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 123' ' ' LEU . 1.4 t70 -37.91 152.51 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -92.21 -31.76 15.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -40.5 -48.1 2.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.086 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . 0.444 ' HB3' ' CZ ' ' A' ' 121' ' ' PHE . 2.1 p30 -84.95 -38.56 19.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 71.38 34.26 63.92 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.453 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.489 HD12 ' CD2' ' A' ' 121' ' ' PHE . 69.9 mt -68.17 -18.19 64.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.857 0.36 . . . . 0.0 110.908 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 12.5 mt -134.61 80.68 50.0 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.61 0.719 . . . . 0.0 110.949 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -17.69 37.56 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.664 2.243 . . . . 0.0 112.331 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -130.47 28.37 4.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 56.39 31.31 18.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 8.4 ptpt -127.31 122.69 34.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.831 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 47.1 tp -90.57 117.1 28.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.914 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 85.0 m -95.89 96.88 9.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 11.7 mt -87.71 111.06 20.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . 0.545 ' CE1' ' HB2' ' A' ' 13' ' ' SER . 6.7 t80 -98.56 106.33 18.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 38.1 t -110.67 154.15 24.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -139.77 117.24 11.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 46.4 t -103.19 131.78 50.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.132 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 21.1 m -117.65 110.55 18.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.82 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 89.3 t -83.82 121.76 36.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.158 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 27.9 m -82.58 104.59 11.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.115 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -125.64 145.67 50.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . 0.436 ' CB ' ' HA3' ' A' ' 4' ' ' GLY . 11.4 t0 -83.91 53.87 2.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.4 t 51.98 51.33 16.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.842 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 27.7 m -118.71 129.3 75.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.118 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -99.02 147.06 25.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 65.8 mt -84.6 138.6 18.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.092 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 6.1 t -100.3 151.33 21.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.835 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . -107.75 62.34 0.3 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.469 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . 0.519 ' NE2' ' H ' ' A' ' 153' ' ' GLN . 1.4 pm0 -77.48 -15.44 59.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.775 0.321 . . . . 0.0 110.901 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 62.7 m -108.99 -56.01 2.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 140.73 170.06 11.96 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.52 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -23.09 31.04 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.645 2.23 . . . . 0.0 112.368 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 38.6 m -107.27 174.19 6.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 8.2 t -125.48 117.44 23.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.842 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.508 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.437 -0.265 . . . . 0.0 112.437 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.6 p -75.62 138.62 41.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.892 0.377 . . . . 0.0 110.837 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.4 t -59.94 121.63 12.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.825 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.8 43.29 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.486 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 6' ' ' SER . 3.6 m -161.4 106.84 1.34 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.883 0.373 . . . . 0.0 110.865 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 5' ' ' SER . 22.0 m -35.17 141.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.82 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.0 39.72 2.82 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.464 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.453 ' HD3' ' N ' ' A' ' 9' ' ' VAL . 3.1 tmtm? -64.37 149.46 48.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.792 0.329 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.453 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 5.9 p -134.56 128.58 51.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.165 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.469 ' HB ' ' NE2' ' A' ' 145' ' ' GLN . 76.8 t -91.32 101.01 12.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.95 165.66 12.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -153.45 142.96 21.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.843 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.559 ' HB2' ' CE1' ' A' ' 138' ' ' PHE . 61.6 p -107.38 130.92 54.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.549 ' CD2' ' CD2' ' A' ' 37' ' ' PHE . 27.8 t80 -125.94 111.66 15.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 31.6 ttm -88.88 118.02 28.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 8.6 t90 -118.52 99.47 6.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 52.2 m -89.73 112.91 24.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 47.6 mt -87.8 98.92 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.118 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.92 131.52 45.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 73.87 45.96 0.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -54.2 -40.02 67.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.6 p -66.56 -15.82 63.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -99.11 22.44 10.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 28.0 p -65.67 131.72 47.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -112.31 88.54 2.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -148.37 130.19 15.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -84.65 177.19 8.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.933 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.5 tpt -53.07 109.3 0.41 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 110.58 -44.07 1.58 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.51 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -40.22 157.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.924 0.392 . . . . 0.0 110.886 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 12.7 p -149.31 142.23 17.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.068 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 18.4 mt -95.05 103.17 14.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.137 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.3 mtmm -88.1 113.9 24.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 85.3 p -73.46 166.03 23.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.81 -174.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.892 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 44.9 p -95.18 137.31 34.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.155 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.549 ' CD2' ' CD2' ' A' ' 14' ' ' TYR . 19.6 p90 -132.86 145.33 50.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 93.1 p -132.14 174.59 10.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.1 t -60.23 -48.09 83.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.863 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 175.74 -86.75 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.491 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -42.64 164.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.835 0.35 . . . . 0.0 111.066 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -67.16 85.56 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -103.21 135.69 44.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.5 mmmm -64.78 -27.39 68.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 46.1 tp -72.85 127.54 32.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.933 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.45 ' CB ' HG12 ' A' ' 71' ' ' VAL . 17.0 mmtp -126.09 159.5 32.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.406 ' C ' HG13 ' A' ' 71' ' ' VAL . 74.6 m95 -142.05 151.81 42.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.943 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 32.1 p -138.22 167.28 22.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 19.3 mt -121.16 135.68 55.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 24.2 mtp180 -114.11 108.7 17.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.456 HG21 ' CD1' ' A' ' 137' ' ' LEU . 10.1 t -108.49 138.34 35.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -125.67 101.75 29.83 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.652 0.739 . . . . 0.0 110.846 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.447 ' HA ' ' CD2' ' A' ' 64' ' ' LEU . 54.5 Cg_endo -69.71 -5.41 16.1 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.712 2.275 . . . . 0.0 112.384 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.4 mttp -129.5 8.13 5.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 65.15 -174.17 17.15 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.477 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -88.0 -35.75 17.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.803 0.335 . . . . 0.0 110.902 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.492 ' CG ' ' N ' ' A' ' 58' ' ' GLU . 14.6 t70 -144.32 171.57 14.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.492 ' N ' ' CG ' ' A' ' 57' ' ' ASP . 70.3 mt-10 -50.8 -17.57 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -63.61 -62.96 1.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.93 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 34.3 t -101.11 39.9 1.35 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.855 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.5 ptmm? -78.54 -33.79 47.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.521 ' OD1' ' CD2' ' A' ' 63' ' ' TYR . 0.5 OUTLIER -76.18 -35.65 59.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 179.847 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.521 ' CD2' ' OD1' ' A' ' 62' ' ' ASP . 8.1 m-85 -90.71 162.57 14.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.447 ' CD2' ' HA ' ' A' ' 53' ' ' PRO . 3.2 tm? -95.24 128.13 41.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.978 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.0 t -104.05 123.17 46.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.509 ' CD2' ' CD1' ' A' ' 84' ' ' PHE . 3.1 tp -129.9 113.59 14.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.956 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -112.4 165.67 11.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.919 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.449 ' CD2' ' HB3' ' A' ' 82' ' ' PHE . 28.0 tp -115.02 100.29 8.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.899 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.415 ' CD1' ' O ' ' A' ' 109' ' ' LYS . 6.1 tp -92.39 147.38 22.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 71' ' ' VAL . 43.5 tp -95.29 83.0 3.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.45 HG12 ' CB ' ' A' ' 46' ' ' LYS . 0.6 OUTLIER -35.61 -64.57 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.153 179.861 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.4 m -145.57 148.94 33.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 28.5 p -140.35 143.18 32.27 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.626 0.727 . . . . 0.0 110.854 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -50.72 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.644 2.229 . . . . 0.0 112.382 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 76' ' ' SER . 13.9 pttm -93.5 157.19 16.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 75' ' ' LYS . 47.9 m -37.3 -73.5 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.441 ' CB ' HG13 ' A' ' 106' ' ' VAL . 9.7 pt-20 -119.55 152.5 36.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.7 p -140.92 135.81 33.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.114 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 22.3 mtt180 -99.01 135.94 39.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -161.35 161.36 30.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.075 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 28.3 mttp -101.87 171.89 7.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.449 ' HB3' ' CD2' ' A' ' 68' ' ' LEU . 26.0 p90 -152.01 141.8 21.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -142.21 115.9 9.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.509 ' CD1' ' CD2' ' A' ' 66' ' ' LEU . 36.7 m-85 -98.03 146.64 25.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.417 ' CB ' ' HB1' ' A' ' 96' ' ' ALA . 31.6 p -158.46 156.43 30.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.48 HD12 ' CE2' ' A' ' 116' ' ' PHE . 24.3 mt -116.39 135.55 56.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.16 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 mt -100.46 106.69 18.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.582 ' ND2' ' H ' ' A' ' 92' ' ' GLU . 0.6 OUTLIER -57.56 -174.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 179.921 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.81 -33.14 64.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.481 ' N ' ' HE2' ' A' ' 90' ' ' LYS . 0.6 OUTLIER -80.17 2.42 24.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 70.72 17.67 75.21 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.473 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.582 ' H ' ' ND2' ' A' ' 88' ' ' ASN . 18.3 mm-40 -97.26 144.49 27.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.802 0.334 . . . . 0.0 110.921 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -60.31 136.61 58.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.448 HG23 ' CD2' ' A' ' 129' ' ' LEU . 5.1 t -155.57 140.84 17.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 25.4 mmtt 55.1 50.35 15.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.417 ' HB1' ' CB ' ' A' ' 85' ' ' SER . . . -98.03 165.85 11.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.064 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.546 ' HE2' ' CD2' ' A' ' 113' ' ' PHE . 11.3 mtm -139.95 129.16 23.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -97.55 157.63 15.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.407 ' HG ' ' N ' ' A' ' 100' ' ' GLN . 44.6 t -94.26 151.95 19.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.821 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.407 ' N ' ' HG ' ' A' ' 99' ' ' SER . 43.2 tt0 -72.19 -63.88 1.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.936 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.475 ' O ' ' CE1' ' A' ' 103' ' ' TYR . 6.6 tpt180 -147.48 140.48 25.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -40.96 152.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.475 ' CE1' ' O ' ' A' ' 101' ' ' ARG . 52.1 m-85 -124.88 172.5 9.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.919 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 26.3 ttp180 -80.19 112.89 17.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.531 ' CZ ' ' HB2' ' A' ' 111' ' ' TRP . 23.9 m-85 -108.65 110.3 21.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.441 HG13 ' CB ' ' A' ' 77' ' ' GLU . 1.7 m -120.4 160.3 21.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.19 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -47.69 99.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 104.25 26.96 6.37 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.449 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.415 ' O ' ' CD1' ' A' ' 69' ' ' LEU . 21.6 tptt -110.52 160.24 16.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.788 0.328 . . . . 0.0 110.879 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' A' ' 68' ' ' LEU . 8.4 t0 -148.63 134.47 18.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.531 ' HB2' ' CZ ' ' A' ' 105' ' ' PHE . 94.6 m95 -145.61 129.21 17.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -177.6 -133.38 1.84 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.473 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.546 ' CD2' ' HE2' ' A' ' 97' ' ' MET . 76.0 m-85 -133.31 149.65 51.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.877 0.37 . . . . 0.0 110.891 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 38.2 tttt -79.09 -52.43 8.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.47 ' HG2' ' CD2' ' A' ' 63' ' ' TYR . 56.9 mttt -112.03 101.39 9.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.48 ' CE2' HD12 ' A' ' 86' ' ' ILE . 14.9 t80 -81.17 -51.68 8.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.836 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.499 HD13 ' CD1' ' A' ' 121' ' ' PHE . 3.6 tt -169.87 148.9 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.116 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 36.8 mtt-85 -57.71 112.06 1.34 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 7.4 ttt-85 -48.32 -39.3 21.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -58.3 -31.3 67.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.552 ' CZ ' ' CG ' ' A' ' 127' ' ' ASN . 61.3 t80 -70.38 -32.58 70.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.408 ' C ' HD13 ' A' ' 130' ' ' LEU . 11.7 mt -67.58 -58.27 4.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 124' ' ' ASP . 6.2 mp -60.31 -44.48 95.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 123' ' ' LEU . 4.4 m-20 -35.9 151.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -91.32 -34.94 14.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -38.82 -45.01 1.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . 0.552 ' CG ' ' CZ ' ' A' ' 121' ' ' PHE . 13.5 m-80 -86.27 -42.42 13.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 75.45 33.56 52.52 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.501 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.464 HD11 ' CD1' ' A' ' 121' ' ' PHE . 50.1 mt -69.51 -21.91 63.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.797 0.332 . . . . 0.0 110.877 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.408 HD13 ' C ' ' A' ' 122' ' ' LEU . 4.8 mt -130.61 79.91 71.11 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.623 0.725 . . . . 0.0 110.912 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -25.74 28.48 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.697 2.265 . . . . 0.0 112.37 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -120.6 26.7 8.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 60.37 31.31 20.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 6.5 ptpt -128.51 129.87 46.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 28.3 tp -96.06 105.35 17.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 84.4 m -82.16 99.31 9.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.456 ' CD1' HG21 ' A' ' 51' ' ' VAL . 11.2 mt -92.37 116.38 28.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . 0.559 ' CE1' ' HB2' ' A' ' 13' ' ' SER . 4.7 t80 -105.84 103.01 12.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 37.3 t -105.36 154.7 19.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -140.38 119.29 12.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 48.8 t -109.43 139.02 34.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 4.2 p -122.17 115.76 22.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 72.2 t -92.77 118.98 39.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.167 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 29.3 m -65.59 117.69 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . 0.469 ' NE2' ' HB ' ' A' ' 10' ' ' VAL . 43.8 mt-30 -129.96 92.44 3.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -87.36 -67.4 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 13.2 t -125.61 45.72 2.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.814 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 11.4 m -144.11 139.62 24.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -145.33 153.58 41.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 50.1 mm -64.25 -45.3 96.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 2.6 m -104.39 140.81 37.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . -146.91 -162.92 10.18 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.447 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 50.02 42.12 24.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.803 0.335 . . . . 0.0 110.903 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 53.9 p -50.76 -46.32 59.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 143.64 -180.0 20.64 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.518 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -42.52 3.39 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.699 2.266 . . . . 0.0 112.337 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 57.9 m -50.49 113.27 0.85 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 71.2 p -118.08 98.48 6.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.882 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.524 -179.97 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.6 m -116.12 143.47 45.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.869 0.366 . . . . 0.0 110.851 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -51.25 -61.16 2.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.821 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.17 135.06 3.56 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.434 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.5 p -69.25 149.77 48.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.884 0.374 . . . . 0.0 110.859 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.7 m -131.75 131.79 43.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.22 -115.82 1.32 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.5 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.5 ttpp -74.83 152.57 38.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.861 0.362 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.5 p -136.44 125.6 37.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.1 t -86.89 106.37 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.48 154.08 31.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -149.54 144.27 26.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.519 ' HB2' ' CE1' ' A' ' 138' ' ' PHE . 69.3 p -110.34 149.16 30.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -142.52 113.41 7.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.941 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 33.2 ttm -86.61 119.4 26.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.558 ' CE2' ' CG1' ' A' ' 18' ' ' ILE . 9.5 t90 -113.42 98.82 7.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 49.1 m -93.73 104.58 16.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.558 ' CG1' ' CE2' ' A' ' 16' ' ' TRP . 36.2 mt -87.27 98.15 7.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.179 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.539 ' H ' ' ND2' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -60.19 127.48 32.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 133' ' ' ASP . 21.5 t30 64.42 54.89 1.45 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -57.74 -12.1 2.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.1 t -79.82 -5.51 55.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.639 ' CD1' ' C ' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -71.01 -29.08 64.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.897 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.449 ' C ' ' O ' ' A' ' 23' ' ' PHE . 5.3 p -34.25 108.63 0.06 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -115.45 26.15 10.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -62.43 169.33 2.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -114.84 -57.67 2.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.7 tpt -170.75 131.54 0.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.86 -37.44 2.67 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.429 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.431 ' O ' ' ND2' ' A' ' 52' ' ' ASN . 8.9 mm-40 -46.31 144.39 2.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.848 0.356 . . . . 0.0 110.9 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.489 ' CG2' ' OD1' ' A' ' 52' ' ' ASN . 9.3 p -135.86 150.88 28.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 31.4 mt -102.31 105.94 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.119 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.8 mttm -90.54 122.88 33.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 59.0 p -86.48 169.46 12.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.836 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 59.1 m -57.48 161.9 3.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 77.7 p -81.24 121.65 26.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.113 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 18.7 p90 -118.5 145.0 45.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.3 p -136.78 171.16 14.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.6 t -53.88 -47.9 70.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.823 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -125.96 -171.2 13.13 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.447 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.88 -61.08 1.9 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.859 0.361 . . . . 0.0 111.104 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -89.49 82.8 6.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.845 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -125.82 135.5 52.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -73.34 -53.16 11.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.89 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.447 HD22 ' NE1' ' A' ' 47' ' ' TRP . 2.9 tt -70.56 125.01 25.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.461 ' CB ' HG12 ' A' ' 71' ' ' VAL . 60.7 mmtt -112.21 161.88 16.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.447 ' NE1' HD22 ' A' ' 45' ' ' LEU . 71.0 m95 -139.68 148.42 42.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.867 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 24.6 p -138.23 149.12 45.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.405 HD11 ' CB ' ' A' ' 139' ' ' CYS . 11.1 mt -106.52 138.09 43.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 64.3 mtp180 -115.71 114.75 25.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.1 t -117.96 134.86 60.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.173 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.489 ' OD1' ' CG2' ' A' ' 31' ' ' VAL . 4.2 m120 -124.99 102.06 31.7 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.61 0.719 . . . . 0.0 110.916 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.487 ' HA ' ' CD2' ' A' ' 64' ' ' LEU . 54.4 Cg_endo -69.71 -23.93 30.45 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.688 2.258 . . . . 0.0 112.369 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.0 ttmt -104.52 13.88 30.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 55.79 173.04 0.13 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.458 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 18.9 mt -88.99 -35.89 16.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.812 0.339 . . . . 0.0 110.942 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -130.54 173.15 11.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -68.73 -7.41 33.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -76.93 -56.34 4.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 59.5 p -104.13 38.88 1.75 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.4 ptmm? -80.23 -30.87 38.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.434 ' OD1' ' C ' ' A' ' 62' ' ' ASP . 5.2 t0 -74.81 -37.43 62.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.85 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -89.09 166.36 13.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.487 ' CD2' ' HA ' ' A' ' 53' ' ' PRO . 1.3 tm? -89.95 131.57 35.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.938 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.7 t -103.86 115.84 31.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.519 HD23 ' CD1' ' A' ' 84' ' ' PHE . 12.7 tp -124.75 126.75 46.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -131.21 157.72 42.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.955 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.525 ' CD1' ' C ' ' A' ' 68' ' ' LEU . 0.7 OUTLIER -104.77 111.05 23.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.936 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.7 tp -104.38 148.75 26.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.951 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 41.4 tp -99.82 85.56 3.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.461 HG12 ' CB ' ' A' ' 46' ' ' LYS . 0.3 OUTLIER -38.02 -66.11 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.101 179.87 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.9 m -146.02 147.67 31.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.82 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 26.1 p -137.97 145.99 50.39 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.615 0.722 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -48.08 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.762 2.308 . . . . 0.0 112.316 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.8 pttm -95.34 169.14 10.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.934 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 66.7 m -48.91 -68.63 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -124.0 155.72 37.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.886 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.5 p -142.36 140.24 29.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 22.3 mtp180 -103.25 133.88 47.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -160.63 159.12 30.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 71.1 mttt -107.61 130.08 54.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -113.09 149.02 34.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.3 tmmm? -141.77 141.93 33.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.519 ' CD1' HD23 ' A' ' 66' ' ' LEU . 22.5 m-85 -118.67 140.49 49.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.446 ' CB ' ' HB3' ' A' ' 96' ' ' ALA . 39.1 p -156.02 148.25 23.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.836 -179.776 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 24.3 mt -106.43 132.43 53.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.148 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.8 mt -101.81 108.99 20.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.942 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.507 ' ND2' ' HG2' ' A' ' 92' ' ' GLU . 38.3 p30 -60.23 -177.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.86 -19.37 41.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.092 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.451 ' HD2' ' N ' ' A' ' 90' ' ' LYS . 4.3 mptt -95.42 11.74 31.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 58.97 30.56 66.78 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.476 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.507 ' HG2' ' ND2' ' A' ' 88' ' ' ASN . 4.1 pt-20 -103.64 133.23 49.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.866 0.365 . . . . 0.0 110.861 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -61.75 122.64 15.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.3 t -144.79 154.41 42.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 34.2 mmtt 48.64 46.98 21.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.446 ' HB3' ' CB ' ' A' ' 85' ' ' SER . . . -99.66 151.28 21.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.096 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 19.5 mtm -127.6 119.71 26.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -93.4 160.66 14.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 28.8 p -108.44 155.31 20.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -76.58 -66.69 0.78 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -124.54 168.67 12.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.2 158.41 29.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.077 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -117.45 167.49 11.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.406 ' NH1' ' HB3' ' A' ' 104' ' ' ARG . 14.7 ttm105 -78.87 105.77 10.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -96.35 120.25 36.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 19.4 m -132.74 149.27 31.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.139 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -42.08 97.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 106.76 23.12 7.29 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.484 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.454 ' HG3' ' CD1' ' A' ' 111' ' ' TRP . 17.8 tptt -104.91 141.02 37.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.747 0.308 . . . . 0.0 110.943 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -128.67 121.45 28.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.454 ' CD1' ' HG3' ' A' ' 109' ' ' LYS . 93.1 m95 -135.75 132.24 36.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 176.26 -152.5 12.83 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.521 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -117.32 152.09 35.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.936 0.398 . . . . 0.0 110.863 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 34.0 tttt -80.08 -54.85 5.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.933 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 45.9 mttt -104.44 96.92 6.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.882 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -80.09 -52.47 7.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.414 HG12 ' CD1' ' A' ' 122' ' ' LEU . 2.2 tt -169.18 146.54 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.146 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 17.0 mtt85 -59.2 115.81 3.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 33.4 mtp180 -48.06 -43.39 30.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -49.22 -40.4 33.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.475 ' CD2' ' ND2' ' A' ' 127' ' ' ASN . 10.6 t80 -62.91 -33.12 74.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.929 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.414 ' CD1' HG12 ' A' ' 117' ' ' ILE . 6.7 mp -70.7 -56.49 6.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.918 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -70.99 0.46 7.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -77.45 119.75 21.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -68.19 -34.53 76.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -51.58 -30.0 19.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.051 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . 0.475 ' ND2' ' CD2' ' A' ' 121' ' ' PHE . 57.4 m-20 -89.07 -34.46 16.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . 0.401 ' O ' ' N ' ' A' ' 130' ' ' LEU . . . 82.3 -5.72 71.35 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.457 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 31.2 mt -39.49 -29.5 0.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.841 0.353 . . . . 0.0 110.896 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 128' ' ' GLY . 13.5 mt -130.45 87.13 51.27 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.61 0.719 . . . . 0.0 110.908 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -25.01 29.15 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.645 2.23 . . . . 0.0 112.378 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -134.46 26.75 3.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 20' ' ' ASN . 4.2 m-20 65.98 36.62 5.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.879 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -122.73 120.72 34.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 68.5 tp -92.63 100.85 13.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 97.1 m -85.91 95.43 9.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.128 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 10.9 mt -89.98 110.4 21.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . 0.519 ' CE1' ' HB2' ' A' ' 13' ' ' SER . 7.9 t80 -92.42 108.2 19.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.953 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' CYS . . . . . 0.405 ' CB ' HD11 ' A' ' 49' ' ' LEU . 48.9 t -108.4 145.21 34.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -131.32 125.79 33.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 45.3 t -114.53 134.92 56.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.111 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 2.9 m -125.28 112.31 16.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.842 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 96.4 t -86.86 121.4 37.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.145 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 28.0 m -71.3 127.81 33.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.16 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 43.0 mm-40 -109.67 171.0 7.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -109.54 70.81 0.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 57.2 p 43.05 42.47 3.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 2.7 m -154.86 152.53 9.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.089 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -103.11 174.19 5.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 72.7 mt -106.91 117.75 53.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 37.9 t -59.72 107.43 0.6 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.828 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 155.07 -162.56 30.99 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.472 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 53.9 mm-40 -138.89 149.46 44.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.841 0.353 . . . . 0.0 110.913 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 25.5 m -97.49 -55.11 2.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 118.3 135.95 5.38 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.489 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 176.85 6.18 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.677 2.252 . . . . 0.0 112.393 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 42.0 t -113.0 97.75 6.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 60.3 p 42.75 40.53 2.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.85 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.517 -179.994 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.3 m -60.72 160.1 9.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.829 0.347 . . . . 0.0 110.843 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.6 p -101.05 -61.1 1.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.847 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.61 -59.84 0.36 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.448 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.3 t -112.16 143.67 42.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.9 0.381 . . . . 0.0 110.877 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -141.36 140.96 33.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.14 -108.73 0.37 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.446 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 42.1 tttt -84.8 156.2 21.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.846 0.355 . . . . 0.0 110.841 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.5 p -141.26 131.17 25.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.117 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.41 HG21 ' CD ' ' A' ' 145' ' ' GLN . 84.3 t -100.77 113.39 36.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.077 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.66 151.2 39.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.523 ' CD2' ' HB2' ' A' ' 39' ' ' SER . 21.4 p90 -137.68 146.39 43.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.46 ' HB2' ' CE1' ' A' ' 138' ' ' PHE . 88.9 p -110.42 128.48 55.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.686 ' CD2' ' CD1' ' A' ' 37' ' ' PHE . 38.5 t80 -125.65 108.0 11.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.939 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 26.6 ttm -87.73 121.13 29.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.884 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.526 ' CZ3' HG21 ' A' ' 51' ' ' VAL . 11.4 t90 -116.79 101.49 8.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 98.8 m -92.47 121.54 34.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.18 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 34.3 mt -100.37 98.77 7.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.185 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.441 ' O ' ' CG ' ' A' ' 20' ' ' ASN . 0.4 OUTLIER -58.9 148.06 31.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.441 ' CG ' ' O ' ' A' ' 19' ' ' ASN . 21.0 p30 47.16 46.87 16.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -57.33 -25.99 60.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 40.7 t -73.64 -16.53 61.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -92.13 13.42 19.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.887 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.4 p -41.26 110.08 0.15 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -82.4 -42.91 18.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.909 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 25' ' ' ARG . 26.1 tt0 -37.08 136.22 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -96.9 163.22 13.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 6.4 ttm -38.22 143.7 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.06 -70.88 1.98 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.462 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -42.26 159.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.867 0.365 . . . . 0.0 110.899 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.468 HG23 ' N ' ' A' ' 32' ' ' ILE . 12.6 p -135.72 145.21 31.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.129 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.468 ' N ' HG23 ' A' ' 31' ' ' VAL . 60.1 mt -96.5 105.94 17.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.107 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.7 mtmm -89.27 125.72 35.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.437 ' HB3' ' CE3' ' A' ' 16' ' ' TRP . 36.5 p -83.63 173.88 11.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.9 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 77.6 p -60.2 169.93 1.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 44.7 p -93.16 125.81 37.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.098 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.686 ' CD1' ' CD2' ' A' ' 14' ' ' TYR . 9.0 p90 -121.67 148.65 44.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.5 p -136.22 -179.8 5.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.523 ' HB2' ' CD2' ' A' ' 12' ' ' PHE . 24.8 t -90.05 41.64 1.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 140.15 165.64 10.36 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.491 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.12 -48.35 62.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.763 0.316 . . . . 0.0 111.069 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -82.07 42.93 0.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -115.31 130.2 56.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -83.57 -43.91 15.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.8 tp -62.81 121.8 14.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.437 ' CB ' HG12 ' A' ' 71' ' ' VAL . 68.9 mmtt -111.89 168.88 9.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.927 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.41 ' C ' HG13 ' A' ' 71' ' ' VAL . 77.8 m95 -148.04 149.95 33.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 21.4 p -142.12 144.32 33.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.859 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 14.4 mt -103.79 133.79 48.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 20.0 mtt180 -107.72 106.18 16.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.83 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.526 HG21 ' CZ3' ' A' ' 16' ' ' TRP . 52.4 t -106.97 143.6 17.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -134.13 102.63 11.95 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.643 0.735 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.408 ' HA ' ' CD1' ' A' ' 64' ' ' LEU . 53.7 Cg_endo -69.72 -30.86 21.79 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.714 2.276 . . . . 0.0 112.364 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.7 ttmm -100.6 31.96 3.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 43.1 -161.06 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 21.7 mt -121.42 -44.62 2.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.812 0.339 . . . . 0.0 110.915 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -135.02 163.31 30.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -52.07 -19.51 1.94 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -69.67 -46.31 66.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 92.1 p -120.95 46.26 2.07 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.9 ptmm? -88.29 -33.62 17.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.599 ' OD1' ' CD2' ' A' ' 63' ' ' TYR . 0.5 OUTLIER -69.69 -42.51 73.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 179.893 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.599 ' CD2' ' OD1' ' A' ' 62' ' ' ASP . 1.0 OUTLIER -91.09 168.46 11.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 -179.838 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.408 ' CD1' ' HA ' ' A' ' 53' ' ' PRO . 4.0 tp -89.63 150.14 22.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.92 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 9.3 t -114.41 102.76 10.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.455 HD21 ' CG ' ' A' ' 84' ' ' PHE . 57.2 tp -108.8 133.68 52.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -143.05 142.76 31.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 56.4 tp -97.44 102.74 14.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.2 tp -94.48 138.23 32.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 71' ' ' VAL . 28.4 tp -86.86 83.36 7.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.437 HG12 ' CB ' ' A' ' 46' ' ' LYS . 0.6 OUTLIER -36.86 -64.71 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.176 179.815 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.3 t -147.53 144.77 28.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 29.8 p -134.39 142.98 44.91 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.599 0.714 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -37.07 9.65 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.701 2.268 . . . . 0.0 112.343 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.1 pttm -107.97 155.74 19.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 73.9 m -38.55 -71.44 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.81 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -117.34 154.3 31.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.3 p -141.75 130.85 23.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.153 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 33.0 mtp85 -99.24 133.02 44.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -160.7 161.37 32.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.098 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 61.5 mttm -104.5 133.51 49.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.942 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -114.83 145.42 42.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.411 ' CG ' ' HG2' ' A' ' 98' ' ' GLU . 5.1 tmmm? -144.57 124.2 13.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.455 ' CG ' HD21 ' A' ' 66' ' ' LEU . 22.2 m-85 -103.64 147.91 26.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 91.3 p -158.88 158.04 32.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.481 HD13 ' CE2' ' A' ' 116' ' ' PHE . 23.3 mt -120.17 132.68 69.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.089 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.6 mt -94.49 106.73 18.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.556 ' ND2' ' H ' ' A' ' 92' ' ' GLU . 0.5 OUTLIER -60.31 -174.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.899 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.83 -35.43 61.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.09 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.05 15.59 2.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.72 23.93 46.19 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.513 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.556 ' H ' ' ND2' ' A' ' 88' ' ' ASN . 21.3 mt-10 -104.3 137.34 42.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.839 0.352 . . . . 0.0 110.893 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -54.26 140.86 31.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.9 t -160.32 143.95 13.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.564 ' HE3' ' CZ ' ' A' ' 121' ' ' PHE . 28.4 mmtt 55.97 45.7 23.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -90.66 158.54 16.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.058 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.41 ' HE3' ' CG ' ' A' ' 113' ' ' PHE . 13.0 mtm -133.55 115.11 14.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.411 ' HG2' ' CG ' ' A' ' 83' ' ' LYS . 22.2 mt-10 -91.25 169.7 10.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.916 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 45.2 t -115.01 151.28 34.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.827 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -59.36 -56.33 23.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 56.9 mtt180 -150.78 175.46 11.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.9 155.26 36.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.114 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -121.94 169.17 11.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.945 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 5.8 ttp-105 -83.8 101.86 11.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -95.3 123.9 39.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.423 ' CG2' ' HB2' ' A' ' 109' ' ' LYS . 19.7 m -128.3 161.18 37.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.161 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -49.71 107.93 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 91.12 23.14 30.5 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.501 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.423 ' HB2' ' CG2' ' A' ' 106' ' ' VAL . 9.0 tptt -98.34 146.98 25.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.816 0.341 . . . . 0.0 110.846 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -130.51 127.61 39.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 88.6 m95 -142.0 132.96 25.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.961 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 173.25 -145.6 8.45 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.498 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.41 ' CG ' ' HE3' ' A' ' 97' ' ' MET . 7.0 m-85 -127.69 152.4 47.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.879 0.371 . . . . 0.0 110.897 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 23.5 tttp -79.62 -56.45 4.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.462 ' HG2' ' CD2' ' A' ' 63' ' ' TYR . 0.2 OUTLIER -98.34 99.94 11.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.921 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.481 ' CE2' HD13 ' A' ' 86' ' ' ILE . 14.4 t80 -86.45 -50.82 6.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.51 HG13 ' N ' ' A' ' 118' ' ' ARG . 5.4 tp -167.26 151.3 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.51 ' N ' HG13 ' A' ' 117' ' ' ILE . 15.8 mtm180 -67.34 110.43 3.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.467 ' HA ' ' CD1' ' A' ' 122' ' ' LEU . 19.0 ttp85 -42.66 -42.12 3.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.62 -35.97 75.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.564 ' CZ ' ' HE3' ' A' ' 95' ' ' LYS . 57.3 t80 -66.79 -26.33 66.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.467 ' CD1' ' HA ' ' A' ' 119' ' ' ARG . 13.7 mt -72.4 -46.89 53.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.898 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.471 ' N ' HD21 ' A' ' 123' ' ' LEU . 3.1 mm? -74.64 -38.81 62.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.454 ' C ' ' O ' ' A' ' 123' ' ' LEU . 28.6 m-20 -33.78 139.33 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -77.77 -33.39 52.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -47.66 -44.62 27.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.082 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . 0.457 ' ND2' ' CD2' ' A' ' 121' ' ' PHE . 22.2 m-80 -88.57 -46.42 9.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 71.45 40.46 59.94 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.504 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.554 HD21 ' CE1' ' A' ' 121' ' ' PHE . 2.7 mm? -61.54 -24.0 66.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.87 0.367 . . . . 0.0 110.939 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.2 mt -126.91 86.77 58.09 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.638 0.733 . . . . 0.0 110.902 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -30.87 21.52 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.712 2.274 . . . . 0.0 112.323 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -120.42 27.87 8.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.829 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 61.73 25.35 15.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 1.5 ptpt -123.88 124.35 42.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 31.8 tp -88.75 115.75 26.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.938 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 62.9 m -97.82 102.08 13.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.091 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 5.2 mt -96.45 116.26 28.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . 0.46 ' CE1' ' HB2' ' A' ' 13' ' ' SER . 5.9 t80 -102.6 110.15 21.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 49.4 t -112.26 151.88 29.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -134.9 120.14 18.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 48.0 t -111.06 122.04 64.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.181 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 19.3 m -108.25 110.15 21.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 59.7 t -83.9 124.78 39.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 21.8 m -86.05 102.68 11.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.117 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . 0.41 ' CD ' HG21 ' A' ' 10' ' ' VAL . 5.5 pt20 -128.27 166.69 18.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.961 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -68.66 144.57 54.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 2.6 m -48.71 124.76 8.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.851 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 26.8 m -128.59 131.11 69.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.169 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -44.48 165.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 45.4 mt -56.4 118.78 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.171 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 6.7 t -102.16 131.49 48.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 84.94 58.52 2.1 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.505 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -56.0 97.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.796 0.331 . . . . 0.0 110.943 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 8.6 t -159.75 131.87 6.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.843 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -47.75 123.18 8.6 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.52 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -178.1 2.2 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.683 2.255 . . . . 0.0 112.309 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 93.1 p -88.53 166.23 14.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.841 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 46.8 t -111.65 161.93 15.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.846 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.492 179.989 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.6 m -65.96 110.47 2.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.891 0.377 . . . . 0.0 110.86 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 t -87.21 166.85 14.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.887 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.69 131.99 0.16 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.508 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 m -76.21 153.11 36.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.846 0.355 . . . . 0.0 110.867 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.3 t -163.41 117.54 1.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.88 -179.54 48.65 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.514 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.454 ' HD3' ' N ' ' A' ' 9' ' ' VAL . 4.4 tmtm? -73.59 150.9 41.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.824 0.345 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.454 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 7.6 p -128.8 135.02 63.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.084 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 82.4 t -100.59 103.49 14.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.099 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.82 162.46 17.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.831 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 13.8 p90 -154.88 144.0 21.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 78.5 p -109.99 125.85 53.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.56 ' HB2' ' CD2' ' A' ' 37' ' ' PHE . 45.3 t80 -115.04 110.91 20.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 31.6 ttm -85.57 117.71 24.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.878 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.48 ' CZ2' HD13 ' A' ' 18' ' ' ILE . 7.8 t90 -112.37 101.31 9.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.944 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 96.0 m -98.24 112.49 24.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.147 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.48 HD13 ' CZ2' ' A' ' 16' ' ' TRP . 29.4 mt -95.94 99.74 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.56 ' H ' ' ND2' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -61.56 138.59 58.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 133' ' ' ASP . 74.9 m-80 56.75 51.54 10.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -54.71 -14.15 1.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.0 t -68.73 -21.32 64.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.652 ' CD1' ' C ' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -83.09 -30.19 28.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.852 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.447 ' C ' ' O ' ' A' ' 23' ' ' PHE . 1.7 m -34.08 104.64 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.437 ' HB2' ' NH1' ' A' ' 25' ' ' ARG . 0.8 OUTLIER -128.84 97.58 4.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.853 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 27' ' ' GLU . 0.6 OUTLIER -115.41 93.03 4.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 26' ' ' GLU . 11.2 mm-40 -35.71 152.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.404 ' C ' ' O ' ' A' ' 27' ' ' GLU . 2.8 tpt -37.02 108.41 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.872 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 109.76 -50.52 0.77 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.484 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -39.42 159.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.879 0.371 . . . . 0.0 110.871 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.418 HG22 ' N ' ' A' ' 32' ' ' ILE . 14.4 p -156.06 141.65 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.418 ' N ' HG22 ' A' ' 31' ' ' VAL . 46.4 mt -89.01 104.93 15.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.151 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.8 mtmt -90.89 111.76 23.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.2 p -74.06 171.12 14.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.872 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.4 m -59.21 -176.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 20.3 p -99.15 127.84 45.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.135 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.56 ' CD2' ' HB2' ' A' ' 14' ' ' TYR . 30.5 p90 -131.0 141.58 50.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 t -140.17 -176.91 4.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.859 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 82.5 p -63.16 -8.38 7.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.853 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -175.86 137.99 3.97 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.515 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -43.74 -58.68 2.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.821 0.344 . . . . 0.0 111.099 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.2 p30 -76.24 83.48 3.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -151.24 163.72 38.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt -91.77 -48.71 6.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.509 HD23 ' CE2' ' A' ' 47' ' ' TRP . 3.0 tt -74.48 137.54 42.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.445 ' CB ' HG12 ' A' ' 71' ' ' VAL . 31.9 mmtm -127.55 166.54 17.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.509 ' CE2' HD23 ' A' ' 45' ' ' LEU . 72.6 m95 -145.36 139.74 27.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 24.7 p -128.71 165.45 20.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.93 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 20.5 mt -121.3 132.12 54.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 47.7 mtt180 -109.38 106.07 15.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.454 ' CG2' ' HG ' ' A' ' 66' ' ' LEU . 42.9 t -107.68 132.7 54.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.089 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -121.13 101.82 44.16 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.583 0.706 . . . . 0.0 110.861 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.509 ' HA ' ' CD2' ' A' ' 64' ' ' LEU . 54.2 Cg_endo -69.73 -19.53 36.16 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.73 2.287 . . . . 0.0 112.318 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.1 mttt -106.89 -4.14 19.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 72.94 150.08 1.22 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 81.5 mt -61.97 -59.78 4.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.845 0.355 . . . . 0.0 110.911 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -117.28 169.91 9.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -57.37 -13.49 3.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -64.01 -49.16 73.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 84.8 p -116.32 45.91 1.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.83 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.9 ptmm? -77.71 -31.55 52.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.941 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -87.23 -13.29 44.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -107.63 164.93 11.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.509 ' CD2' ' HA ' ' A' ' 53' ' ' PRO . 2.2 tm? -94.77 125.23 39.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 t -99.92 113.25 25.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.454 ' HG ' ' CG2' ' A' ' 51' ' ' VAL . 4.2 tt -125.83 113.9 17.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.944 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -118.5 161.39 20.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -104.65 100.91 10.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.965 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.3 tp -94.97 143.13 26.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.849 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.469 ' CD2' ' HB3' ' A' ' 73' ' ' CYS . 60.0 tp -92.23 89.92 7.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.878 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.445 HG12 ' CB ' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -42.78 -66.45 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.858 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 40.6 t -143.81 141.59 30.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.469 ' HB3' ' CD2' ' A' ' 70' ' ' LEU . 5.2 p -143.09 129.28 10.38 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.565 0.698 . . . . 0.0 110.876 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -43.71 2.52 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.688 2.259 . . . . 0.0 112.373 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.455 ' O ' ' C ' ' A' ' 76' ' ' SER . 1.1 pttt -81.69 144.53 31.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 75' ' ' LYS . 36.1 m -33.98 -52.64 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.827 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.469 ' CG ' ' HD2' ' A' ' 104' ' ' ARG . 7.7 pt-20 -137.74 175.75 9.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.838 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.424 ' O ' ' N ' ' A' ' 105' ' ' PHE . 1.9 t -148.27 129.77 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.106 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.6 mtt-85 -107.6 108.99 20.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -142.25 173.84 11.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.1 mttm -119.19 127.05 52.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.595 ' CD1' ' CZ ' ' A' ' 84' ' ' PHE . 53.0 p90 -107.55 146.56 31.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.7 tmmm? -139.32 123.1 17.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.955 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.595 ' CZ ' ' CD1' ' A' ' 82' ' ' PHE . 6.7 m-85 -107.32 138.25 43.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.423 ' OG ' ' CB ' ' A' ' 96' ' ' ALA . 1.4 t -150.51 179.34 8.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 -179.722 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 17.1 mt -138.03 134.17 44.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.132 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.0 mt -93.48 107.43 19.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.914 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.417 ' OD1' ' N ' ' A' ' 90' ' ' LYS . 42.3 p30 -62.04 -176.51 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.92 -27.31 51.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.162 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.447 ' HD2' ' N ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -91.33 13.72 16.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.15 32.16 59.73 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.491 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -109.88 121.33 44.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.782 0.325 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -42.98 135.58 3.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.8 t -151.23 148.31 28.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.512 ' HE2' ' CE2' ' A' ' 121' ' ' PHE . 32.0 mmtm 55.12 41.41 31.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.423 ' CB ' ' OG ' ' A' ' 85' ' ' SER . . . -84.26 154.33 23.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 7.6 mtm -143.68 114.71 7.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -111.9 170.86 7.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 6.7 t -116.13 141.82 47.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.849 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -56.78 -68.69 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -101.64 170.27 8.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -79.67 163.74 24.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -121.02 153.65 37.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.469 ' HD2' ' CG ' ' A' ' 77' ' ' GLU . 7.6 tpp180 -74.42 130.47 39.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.886 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.424 ' N ' ' O ' ' A' ' 78' ' ' VAL . 23.4 m-85 -120.3 136.12 54.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.491 ' O ' ' N ' ' A' ' 108' ' ' GLY . 17.5 m -142.87 144.59 24.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.123 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -38.85 92.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 106' ' ' VAL . . . 111.59 21.38 6.5 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.424 ' HB2' ' CG2' ' A' ' 106' ' ' VAL . 26.3 tptt -106.21 145.67 31.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.775 0.321 . . . . 0.0 110.911 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -135.91 125.34 24.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -132.68 135.71 45.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.487 ' HA2' ' CZ ' ' A' ' 82' ' ' PHE . . . 172.11 -149.34 11.67 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.47 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -123.18 155.02 37.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.913 0.387 . . . . 0.0 110.892 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 26.9 tttt -81.92 -55.28 4.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 40.5 mttt -101.37 93.56 5.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.902 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -81.92 -48.62 11.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.489 HG13 ' N ' ' A' ' 118' ' ' ARG . 8.0 tp -163.73 152.58 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.172 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.489 ' N ' HG13 ' A' ' 117' ' ' ILE . 26.5 mtm180 -72.92 112.13 8.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 14.7 ttp180 -48.13 -35.64 11.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.94 -33.27 75.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.512 ' CE2' ' HE2' ' A' ' 95' ' ' LYS . 83.5 t80 -66.87 -35.33 79.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.477 ' CD1' HG23 ' A' ' 117' ' ' ILE . 5.9 mp -65.9 -67.61 0.43 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.6 mt -51.45 -18.28 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -49.2 161.11 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -98.46 -33.85 10.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -56.07 -38.51 70.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.126 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . 0.462 ' HB2' ' CD2' ' A' ' 129' ' ' LEU . 12.0 m-20 -92.27 -38.45 12.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 61.87 43.53 99.08 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.503 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.462 ' CD2' ' HB2' ' A' ' 127' ' ' ASN . 1.9 mm? -61.81 -12.9 19.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.807 0.337 . . . . 0.0 110.92 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.7 mt -133.79 89.21 30.81 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.578 0.704 . . . . 0.0 110.904 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -34.37 14.51 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.681 2.254 . . . . 0.0 112.331 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -120.7 26.5 9.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 20' ' ' ASN . 5.6 m-20 65.13 32.41 10.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 4.6 ptpt -127.77 138.77 52.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.423 HD11 ' CD2' ' A' ' 122' ' ' LEU . 50.2 tp -101.07 95.9 6.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.934 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 90.2 m -78.66 96.4 5.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.15 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.433 HD21 ' CD1' ' A' ' 66' ' ' LEU . 13.2 mt -89.99 112.27 23.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -97.94 105.36 17.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 49.7 t -103.68 147.13 27.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -135.76 113.48 10.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 15.6 t -110.15 135.17 50.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 19.9 m -122.67 107.41 11.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.854 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 93.5 t -84.39 128.82 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.437 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 12.8 m -78.92 117.45 24.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.169 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -122.09 179.26 4.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.941 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -79.05 165.84 22.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 50.4 p -76.95 132.33 38.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 33.1 m -154.4 122.74 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.119 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -71.32 106.83 4.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 5.4 mp -52.54 97.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.157 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 56.9 p -54.01 161.99 1.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 70.43 138.36 0.14 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.463 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -85.88 -34.52 20.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.788 0.328 . . . . 0.0 110.887 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 26.7 t -104.1 -59.7 1.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 131.77 146.28 5.72 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 0.47 5.61 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.686 2.257 . . . . 0.0 112.333 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 28.1 m -72.83 121.65 20.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 5.1 t -80.44 127.41 32.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.495 -179.942 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.6 p -56.91 -41.63 78.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.875 0.369 . . . . 0.0 110.843 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.9 m -122.38 111.63 17.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.857 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.06 -127.63 0.91 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.529 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.1 t -146.27 154.89 42.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.892 0.377 . . . . 0.0 110.852 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.6 t -128.79 132.51 47.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.824 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.83 -125.71 0.93 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.466 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.456 ' HD2' ' N ' ' A' ' 9' ' ' VAL . 2.4 tmmm? -71.78 147.26 47.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.783 0.325 . . . . 0.0 110.928 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.522 ' CG2' ' N ' ' A' ' 10' ' ' VAL . 2.7 p -137.79 162.53 31.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.522 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 55.9 t -120.66 97.6 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.097 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.48 ' HG2' ' CB ' ' A' ' 142' ' ' SER . 11.4 mtmt -104.03 170.79 7.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.551 ' CZ ' ' HB ' ' A' ' 141' ' ' VAL . 25.9 p90 -169.32 133.69 1.41 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 89.1 p -109.01 141.17 41.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -131.15 110.01 10.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 33.8 ttm -85.95 117.73 24.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.88 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.541 ' CE2' ' CG1' ' A' ' 18' ' ' ILE . 8.6 t90 -115.93 98.7 6.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.954 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 99.1 m -91.43 107.69 19.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.17 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.541 ' CG1' ' CE2' ' A' ' 16' ' ' TRP . 21.5 mt -87.73 99.51 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.089 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.484 ' H ' ' ND2' ' A' ' 19' ' ' ASN . 0.3 OUTLIER -65.88 130.42 43.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.855 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.436 ' N ' ' OD1' ' A' ' 20' ' ' ASN . 0.4 OUTLIER 67.5 52.13 0.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.451 ' CE1' ' HB3' ' A' ' 53' ' ' PRO . 54.5 t80 -69.12 -44.11 73.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.9 t -65.79 -10.34 36.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -90.1 -25.66 20.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.863 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.3 t -45.86 101.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.1 mmm180 -88.63 23.11 2.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.475 ' O ' ' CE ' ' A' ' 54' ' ' LYS . 7.9 tp10 -52.27 162.57 0.49 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' ' 28' ' ' MET . 3.8 tt0 -104.97 154.11 20.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.431 ' N ' ' HG3' ' A' ' 27' ' ' GLU . 5.1 ttm -43.87 134.72 4.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.25 -62.28 0.88 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.487 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -40.7 136.01 1.48 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.94 0.4 . . . . 0.0 110.846 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.437 HG22 ' ND2' ' A' ' 52' ' ' ASN . 15.0 p -123.72 141.94 42.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.131 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 85.1 mt -92.25 101.87 13.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.5 mttm -84.56 116.62 23.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 83.4 p -76.23 169.25 18.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.829 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.7 m -60.79 170.97 1.29 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.868 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 73.0 p -86.39 123.99 32.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.183 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -116.33 156.11 27.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.5 p -139.79 -176.02 4.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.841 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 92.0 p -59.66 -36.63 76.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.801 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 170.09 -97.98 0.13 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.477 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -49.44 174.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.8 0.333 . . . . 0.0 111.073 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 32.4 m-80 -62.43 93.22 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -101.89 164.13 11.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -85.16 -46.59 10.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.534 HD21 ' CE2' ' A' ' 47' ' ' TRP . 1.7 tt -71.33 120.64 17.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.486 ' CB ' HG11 ' A' ' 71' ' ' VAL . 36.5 mmtm -115.44 162.0 17.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.534 ' CE2' HD21 ' A' ' 45' ' ' LEU . 77.2 m95 -139.12 157.4 46.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.954 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.9 p -143.03 148.93 37.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.6 mt -107.72 132.64 53.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 40.1 mtp180 -111.04 103.72 12.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.464 HG23 ' CZ3' ' A' ' 16' ' ' TRP . 61.3 t -107.29 135.89 44.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.437 ' ND2' HG22 ' A' ' 31' ' ' VAL . 65.8 m-80 -122.06 102.2 40.86 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.63 0.729 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.451 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 53.8 Cg_endo -69.7 -15.88 37.54 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.717 2.278 . . . . 0.0 112.321 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.475 ' CE ' ' O ' ' A' ' 26' ' ' GLU . 18.7 mttm -116.25 25.32 10.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.914 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 50.11 -156.97 2.01 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.481 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.4 mt -125.12 -44.94 1.88 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.782 0.325 . . . . 0.0 110.91 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.453 ' OD2' ' CE ' ' A' ' 114' ' ' LYS . 0.1 OUTLIER -127.64 161.43 28.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.831 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -48.42 -30.94 5.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.937 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -62.71 -60.96 2.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.4 ' CB ' ' HD3' ' A' ' 115' ' ' LYS . 92.5 p -93.03 39.88 1.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.888 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.408 ' CG ' ' N ' ' A' ' 62' ' ' ASP . 13.5 ptmt -85.88 -43.71 13.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.408 ' N ' ' CG ' ' A' ' 61' ' ' LYS . 14.7 t0 -66.42 -23.83 66.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.837 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.559 ' CE2' ' HG3' ' A' ' 118' ' ' ARG . 2.3 m-85 -106.5 167.29 9.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.425 ' CD1' ' HA ' ' A' ' 53' ' ' PRO . 4.3 tp -90.57 141.08 29.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.916 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.3 t -109.16 99.3 8.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.641 ' CD2' ' CZ ' ' A' ' 84' ' ' PHE . 6.5 tt -108.45 139.14 43.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.914 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.452 ' N ' HD23 ' A' ' 66' ' ' LEU . 41.7 m-85 -143.77 144.63 31.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.457 ' CD2' ' HB3' ' A' ' 82' ' ' PHE . 20.9 tp -98.52 109.71 22.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.928 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.408 ' HG ' ' N ' ' A' ' 70' ' ' LEU . 6.0 tp -100.36 148.19 24.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.937 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.419 HD23 ' C ' ' A' ' 105' ' ' PHE . 53.9 tp -95.46 88.12 4.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.486 HG11 ' CB ' ' A' ' 46' ' ' LYS . 0.8 OUTLIER -43.27 -61.67 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.81 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.4 m -144.94 150.98 37.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 16.7 p -151.66 136.99 10.77 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.617 0.722 . . . . 0.0 110.88 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -51.14 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.719 2.279 . . . . 0.0 112.299 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 76' ' ' SER . 15.0 pttm -83.35 149.48 26.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 75' ' ' LYS . 33.3 t -34.12 -54.61 0.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -134.74 170.88 15.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.901 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.414 ' N ' ' O ' ' A' ' 105' ' ' PHE . 2.3 t -139.39 131.24 35.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -106.42 109.11 20.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -146.4 158.87 43.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.137 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 56.1 mttt -106.7 121.87 45.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.938 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.457 ' HB3' ' CD2' ' A' ' 68' ' ' LEU . 53.8 p90 -105.94 153.54 21.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.861 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.34 126.17 14.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.641 ' CZ ' ' CD2' ' A' ' 66' ' ' LEU . 21.8 m-85 -99.46 145.27 27.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.434 ' CB ' ' HB2' ' A' ' 96' ' ' ALA . 89.0 p -158.99 154.9 26.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 43.7 mt -114.82 130.31 69.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.162 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.4 mt -94.16 108.02 19.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.449 ' C ' ' OD1' ' A' ' 88' ' ' ASN . 25.1 p30 -56.4 179.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -52.02 -33.18 37.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.079 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.435 ' HD2' ' N ' ' A' ' 90' ' ' LYS . 1.1 mptp? -85.4 17.84 2.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 55.85 23.73 38.83 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.53 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -97.9 139.84 33.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.874 0.369 . . . . 0.0 110.859 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -60.55 136.9 58.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.9 t -162.58 137.52 6.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.161 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.557 ' HE3' ' CE2' ' A' ' 121' ' ' PHE . 23.4 mmtt 63.7 48.7 3.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.434 ' HB2' ' CB ' ' A' ' 85' ' ' SER . . . -101.06 144.41 30.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.074 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.437 ' CE ' ' CG ' ' A' ' 113' ' ' PHE . 9.0 mtm -117.19 125.07 50.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -96.46 164.02 12.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.1 t -113.83 152.88 30.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -62.48 -66.41 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 24.6 mtp180 -137.72 176.51 8.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.7 158.12 25.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.098 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -123.64 165.4 17.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.462 ' CZ ' HG12 ' A' ' 106' ' ' VAL . 61.0 ttt-85 -80.99 121.62 26.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.419 ' C ' HD23 ' A' ' 70' ' ' LEU . 7.9 m-85 -113.11 120.96 43.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.847 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.462 HG12 ' CZ ' ' A' ' 104' ' ' ARG . 15.9 m -130.93 143.49 40.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.146 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -39.91 95.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 106' ' ' VAL . . . 109.8 23.89 6.02 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.488 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 17.9 tptt -106.64 153.27 22.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.749 0.309 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -139.45 125.05 19.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -137.24 127.92 27.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.972 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -175.58 -143.95 4.82 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.502 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.437 ' CG ' ' CE ' ' A' ' 97' ' ' MET . 15.1 m-85 -133.0 151.37 52.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.944 0.402 . . . . 0.0 110.854 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.453 ' CE ' ' OD2' ' A' ' 57' ' ' ASP . 21.9 tttp -78.78 -53.84 6.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.851 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.4 ' HD3' ' CB ' ' A' ' 60' ' ' SER . 12.2 mmtp -101.88 96.4 7.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.446 ' CD2' HG22 ' A' ' 117' ' ' ILE . 27.6 t80 -85.05 -49.21 8.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.446 HG22 ' CD2' ' A' ' 116' ' ' PHE . 1.0 OUTLIER -171.41 144.09 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.559 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 62.6 mtt180 -57.49 110.9 0.95 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 19.8 ttp180 -45.43 -36.25 4.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -57.36 -42.92 82.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.557 ' CE2' ' HE3' ' A' ' 95' ' ' LYS . 46.0 t80 -54.1 -41.12 67.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 8.9 mp -58.95 -61.96 2.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.948 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.475 ' CD1' ' N ' ' A' ' 123' ' ' LEU . 3.2 mp -60.84 -32.23 71.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -39.62 149.24 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.836 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -93.12 -38.14 11.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -47.25 -35.35 7.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.047 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . 0.55 ' CG ' ' CZ ' ' A' ' 121' ' ' PHE . 60.8 m-80 -95.05 -45.07 7.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 71.7 47.58 32.76 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.461 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.54 ' CD2' ' CB ' ' A' ' 127' ' ' ASN . 4.0 mm? -68.09 -17.88 64.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.861 0.363 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.0 mt -134.41 95.52 16.23 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.576 0.703 . . . . 0.0 110.917 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -32.73 18.23 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.699 2.266 . . . . 0.0 112.321 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -128.6 28.23 5.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 20' ' ' ASN . 36.0 m-20 67.62 26.82 7.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -110.11 119.6 39.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.475 HD13 ' CD1' ' A' ' 137' ' ' LEU . 2.1 tm? -88.23 101.02 13.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.921 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 29.0 m -90.89 96.63 10.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.475 ' CD1' HD13 ' A' ' 135' ' ' LEU . 5.0 mt -94.34 110.63 22.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.936 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -94.17 116.82 29.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 51.4 t -114.55 150.55 34.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -136.01 117.66 14.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . 0.551 ' HB ' ' CZ ' ' A' ' 12' ' ' PHE . 31.5 t -113.37 136.59 49.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.086 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' SER . . . . . 0.48 ' CB ' ' HG2' ' A' ' 11' ' ' LYS . 1.2 m -118.78 105.2 11.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.83 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 54.9 t -84.41 127.76 39.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.43 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 9.4 m -77.73 118.93 25.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.109 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 47.8 mm-40 -104.32 -176.96 3.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -143.13 136.09 27.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 73.8 m -64.4 97.36 0.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 27.7 m -95.27 130.1 44.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.134 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -76.33 142.3 41.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 27.2 mm -72.76 120.39 21.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 48.0 t -87.5 -48.71 7.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 175.77 101.36 0.14 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.462 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -88.93 103.3 15.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 0.0 110.851 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.3 t -133.85 142.27 47.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 111.56 146.17 10.29 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.498 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 99.07 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.68 2.253 . . . . 0.0 112.317 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 54.1 p -120.62 143.13 48.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 62.5 m -39.03 101.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.466 -179.97 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.7 p -145.77 131.03 18.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.897 0.38 . . . . 0.0 110.835 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.1 t -62.52 -56.91 13.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.858 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.84 -126.78 2.72 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.497 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -55.61 174.6 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.868 0.366 . . . . 0.0 110.87 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.1 p -65.01 -56.35 13.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.55 138.14 0.5 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.508 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.0 tttp -65.63 157.42 29.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.809 0.337 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.6 p -139.96 149.65 22.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.145 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.463 ' HB ' ' NE2' ' A' ' 145' ' ' GLN . 56.4 t -112.78 107.69 23.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.22 153.75 35.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -142.24 143.98 33.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.547 ' HB2' ' CZ ' ' A' ' 138' ' ' PHE . 90.3 p -108.12 133.05 52.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.837 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -127.26 109.44 11.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.907 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 31.7 ttm -85.47 118.46 25.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.516 ' CZ3' HG22 ' A' ' 51' ' ' VAL . 10.2 t90 -112.27 101.37 9.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.4 m -95.2 118.1 31.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.165 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.433 HD12 ' CZ2' ' A' ' 16' ' ' TRP . 31.4 mt -101.73 100.25 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.6 ' H ' ' ND2' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -63.88 136.05 57.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.845 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 56.24 43.65 26.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -51.02 -16.84 0.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 84.0 p -86.56 14.19 7.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.656 ' CD1' ' C ' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -95.93 -37.5 10.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.842 -179.917 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.476 ' N ' ' CD1' ' A' ' 23' ' ' PHE . 5.2 m -42.41 104.95 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.436 ' HB2' ' NH1' ' A' ' 25' ' ' ARG . 0.6 OUTLIER -113.01 41.44 2.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.817 -179.818 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -79.5 160.11 26.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -82.31 156.28 24.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.0 ttm -42.03 132.82 3.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 105.17 -55.79 0.55 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.472 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -37.97 152.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.927 0.394 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.408 ' CG2' ' ND2' ' A' ' 52' ' ' ASN . 6.2 p -132.94 168.36 24.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.122 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.441 ' CD1' ' SG ' ' A' ' 24' ' ' CYS . 56.8 mt -117.73 103.59 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.104 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.5 mtmm -89.01 125.12 34.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 99.1 p -89.17 175.43 7.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.7 m -63.0 -175.27 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.826 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 31.7 p -107.38 128.75 54.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.148 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.414 ' CD1' ' N ' ' A' ' 37' ' ' PHE . 4.9 p90 -128.7 150.62 50.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 67.6 p -138.85 171.55 14.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.9 p -55.26 -54.64 40.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -113.5 -174.79 19.02 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.504 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.01 -65.0 0.78 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.765 0.316 . . . . 0.0 111.105 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -86.98 81.74 8.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -131.09 135.39 47.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.2 mmtt -73.53 -51.3 17.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.444 ' HB2' ' CD ' ' A' ' 74' ' ' PRO . 13.8 tp -61.23 124.7 21.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.924 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.411 ' CB ' HG12 ' A' ' 71' ' ' VAL . 34.1 mmtm -122.41 165.79 15.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 54.2 m95 -143.62 150.7 39.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.6 t -140.78 153.23 45.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 34.4 mt -111.09 143.57 41.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 36.0 mtp85 -116.49 110.39 18.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.516 HG22 ' CZ3' ' A' ' 16' ' ' TRP . 55.7 t -106.42 136.4 41.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.408 ' ND2' ' CG2' ' A' ' 31' ' ' VAL . 2.0 m120 -130.17 102.49 17.26 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.648 0.737 . . . . 0.0 110.862 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -38.12 8.18 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.69 2.26 . . . . 0.0 112.318 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.5 ttmm -88.02 -8.7 55.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 73.45 157.38 4.4 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.494 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.3 mt -69.47 -52.61 24.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.796 0.332 . . . . 0.0 110.896 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -130.91 171.03 13.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.7 mp0 -53.66 -17.5 2.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.415 ' CG ' ' HD3' ' A' ' 114' ' ' LYS . 5.2 tp10 -63.64 -41.07 98.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.44 ' HB3' ' CG ' ' A' ' 114' ' ' LYS . 8.9 p -119.28 47.85 1.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.878 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.6 ptmm? -85.58 -37.27 19.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -78.25 -34.06 49.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.412 ' CE2' ' HG3' ' A' ' 118' ' ' ARG . 1.4 m-85 -102.56 166.82 10.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.7 tp -89.48 153.9 20.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.9 t -117.15 99.35 6.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 17.9 tp -105.16 120.01 40.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.939 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -130.59 145.54 51.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 51.7 tp -99.76 110.11 22.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.1 tp -100.87 139.75 36.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.474 ' CD2' ' HB3' ' A' ' 73' ' ' CYS . 28.8 tp -88.34 86.01 6.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.948 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.411 HG12 ' CB ' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -41.27 -63.98 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 179.902 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 41.0 t -145.12 142.15 29.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.474 ' HB3' ' CD2' ' A' ' 70' ' ' LEU . 11.1 p -138.13 135.64 18.73 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.59 0.71 . . . . 0.0 110.904 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.444 ' CD ' ' HB2' ' A' ' 45' ' ' LEU . 53.4 Cg_endo -69.78 -44.0 2.31 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.673 2.249 . . . . 0.0 112.344 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 76' ' ' SER . 3.1 pttt -90.43 149.22 22.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 75' ' ' LYS . 3.3 m -34.86 -54.42 0.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.795 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -136.05 168.18 19.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.0 t -140.04 130.15 29.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.107 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -107.98 108.63 19.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -144.29 160.69 40.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.097 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -106.93 128.27 54.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -110.15 153.74 24.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.912 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.413 ' HD2' ' C ' ' A' ' 83' ' ' LYS . 4.9 tmmm? -145.87 125.73 13.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -101.02 140.63 35.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.907 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.419 ' CB ' ' HB1' ' A' ' 96' ' ' ALA . 89.8 p -155.54 149.55 25.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 24.0 mt -109.73 134.51 51.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.0 mt -98.12 106.94 19.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 48.1 p30 -57.82 -175.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.61 -32.24 65.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.12 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -86.15 16.34 4.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 58.42 25.81 58.43 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.467 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -100.5 143.9 30.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.854 0.359 . . . . 0.0 110.891 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -64.98 133.66 52.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.975 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.3 t -153.92 147.9 25.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.457 ' HE2' ' CE2' ' A' ' 121' ' ' PHE . 33.9 mmtt 49.84 49.26 20.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.419 ' HB1' ' CB ' ' A' ' 85' ' ' SER . . . -102.68 153.54 20.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.074 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.412 ' HE1' ' CG ' ' A' ' 113' ' ' PHE . 16.8 mtm -125.9 129.13 48.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -98.84 166.9 11.08 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.4 t -112.92 155.89 23.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 14.0 mp0 -76.15 -65.3 0.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.943 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 42.4 mtm180 -131.36 169.71 15.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.23 153.45 41.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.095 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -117.76 162.97 17.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 19.9 ttm180 -79.3 124.73 28.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.425 ' C ' HD22 ' A' ' 70' ' ' LEU . 39.3 m-85 -113.4 125.93 54.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.938 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.499 ' O ' ' N ' ' A' ' 108' ' ' GLY . 11.3 m -134.47 142.4 40.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.168 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 106' ' ' VAL . 9.7 tt0 -36.14 93.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 106' ' ' VAL . . . 112.97 21.29 6.03 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.528 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 23.1 tptt -105.38 150.68 25.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.749 0.309 . . . . 0.0 110.932 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -140.65 120.29 13.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 82.1 m95 -130.2 128.56 41.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -179.25 -146.88 6.94 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.501 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.412 ' CG ' ' HE1' ' A' ' 97' ' ' MET . 34.9 m-85 -126.89 149.41 49.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.923 0.392 . . . . 0.0 110.896 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.44 ' CG ' ' HB3' ' A' ' 60' ' ' SER . 12.8 ttmt -79.22 -52.88 7.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 65.4 mttt -100.96 99.87 10.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.542 ' CD2' HG22 ' A' ' 117' ' ' ILE . 14.5 t80 -85.47 -57.43 3.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.542 HG22 ' CD2' ' A' ' 116' ' ' PHE . 1.1 tt -166.83 145.51 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.14 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.431 ' N ' HG13 ' A' ' 117' ' ' ILE . 16.8 mtm180 -54.68 120.25 6.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 7.2 ttt-85 -57.33 -32.35 66.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -66.62 -25.83 66.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.457 ' CE2' ' HE2' ' A' ' 95' ' ' LYS . 44.8 t80 -72.44 -34.95 68.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.447 ' CD1' HG12 ' A' ' 117' ' ' ILE . 7.1 mp -69.16 -59.29 3.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.966 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 7.8 mt -59.52 -19.74 50.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -53.59 160.99 1.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -102.7 -33.72 9.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -45.28 -41.17 8.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.054 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -89.57 -42.36 11.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 78.9 15.83 80.02 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.466 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -43.19 -25.49 0.12 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.824 0.345 . . . . 0.0 110.924 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.5 mt -126.43 82.07 66.8 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.608 0.718 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -26.01 28.14 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.697 2.265 . . . . 0.0 112.343 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -124.13 25.21 7.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 62.95 30.19 16.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 8.7 ptpt -130.51 124.24 31.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 12.3 tp -91.13 123.04 34.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 54.1 m -101.38 103.97 14.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.107 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 13.4 mt -94.65 112.97 24.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.94 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . 0.547 ' CZ ' ' HB2' ' A' ' 13' ' ' SER . 19.0 t80 -98.2 108.95 21.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 43.8 t -109.08 139.47 43.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -125.61 117.0 22.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 18.9 t -112.39 128.0 69.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.103 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 16.1 m -113.49 110.9 21.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 51.4 t -84.07 129.1 38.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.502 ' O ' ' CG2' ' A' ' 144' ' ' VAL . 22.6 m -88.52 100.45 10.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.139 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . 0.463 ' NE2' ' HB ' ' A' ' 10' ' ' VAL . 4.9 pt20 -120.72 139.55 52.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 145' ' ' GLN . 6.0 m-20 -36.67 128.14 0.83 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 11.3 t -54.53 102.05 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 25.1 m -118.52 158.34 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 57.2 m-20 -75.39 147.79 39.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 60.4 mt -70.42 126.75 31.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 37.8 t -81.92 -50.07 9.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 169.09 65.0 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.491 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -80.22 83.01 6.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.85 0.357 . . . . 0.0 110.92 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 30.7 t -93.87 -53.43 4.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 117.32 130.47 4.38 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.449 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 116.03 4.36 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.774 2.316 . . . . 0.0 112.35 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 80.8 p -69.81 121.98 18.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 9.8 t -87.59 105.38 17.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.477 -179.947 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 t -109.08 137.42 47.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.917 0.389 . . . . 0.0 110.843 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.4 t -124.43 108.63 12.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.893 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.42 41.53 0.17 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.538 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.1 m -80.27 124.62 28.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.868 0.366 . . . . 0.0 110.824 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 t -119.13 174.27 6.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.34 -142.75 7.65 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.472 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.6 tttt -78.18 149.34 33.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.831 0.348 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.8 p -130.71 131.47 64.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.127 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.401 ' HB ' ' NE2' ' A' ' 145' ' ' GLN . 83.4 t -100.55 106.34 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.112 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.3 160.06 26.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.559 ' CD1' ' HA ' ' A' ' 39' ' ' SER . 7.7 p90 -146.23 145.06 30.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.847 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.465 ' HB2' ' CE1' ' A' ' 138' ' ' PHE . 96.3 p -109.33 127.3 54.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.818 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -122.33 111.17 16.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.914 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 34.3 ttm -87.86 116.85 26.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.881 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.611 ' CE2' ' CG1' ' A' ' 18' ' ' ILE . 7.2 t90 -110.98 103.47 11.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 94.9 m -92.23 107.63 19.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.183 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.611 ' CG1' ' CE2' ' A' ' 16' ' ' TRP . 43.7 mt -90.87 98.11 7.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.122 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.451 ' O ' ' CG ' ' A' ' 20' ' ' ASN . 0.5 OUTLIER -63.16 146.29 53.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.924 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.451 ' CG ' ' O ' ' A' ' 19' ' ' ASN . 19.8 p30 46.66 50.37 13.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.563 ' CE1' ' HB3' ' A' ' 53' ' ' PRO . 29.6 t80 -58.54 -20.48 46.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.431 ' HB2' ' CD2' ' A' ' 123' ' ' LEU . 27.2 t -83.27 -10.57 58.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.81 -179.744 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.44 ' CD1' ' HB2' ' A' ' 20' ' ' ASN . 6.9 m-85 -89.05 -24.51 22.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.436 ' C ' ' O ' ' A' ' 23' ' ' PHE . 17.2 p -34.52 129.79 0.39 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -105.35 41.47 1.36 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -72.92 145.74 46.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -103.09 169.42 8.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 5.7 tpt -58.3 106.84 0.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.875 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 116.76 -54.27 0.6 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.501 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -48.11 162.77 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.863 0.363 . . . . 0.0 110.929 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.2 p -140.93 153.02 20.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.158 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 92.3 mt -92.84 104.13 15.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.092 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.6 mtmt -87.31 129.87 34.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.446 ' HB3' ' CZ3' ' A' ' 16' ' ' TRP . 91.5 p -93.14 176.2 6.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.832 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.1 m -67.22 169.7 8.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 44.7 p -89.73 121.63 32.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.174 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -117.09 152.97 33.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 78.5 p -138.77 178.0 7.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.559 ' HA ' ' CD1' ' A' ' 12' ' ' PHE . 2.0 m -52.02 -42.59 63.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -167.75 -117.19 0.39 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.523 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -48.65 175.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.786 0.327 . . . . 0.0 111.111 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -49.6 94.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -101.86 142.62 32.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -60.05 -54.43 46.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.475 ' HB2' ' CD ' ' A' ' 74' ' ' PRO . 16.3 tp -69.32 116.79 10.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.409 ' CB ' HG12 ' A' ' 71' ' ' VAL . 17.5 mmtp -114.33 163.97 14.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.41 ' C ' HG13 ' A' ' 71' ' ' VAL . 58.4 m95 -141.28 154.89 45.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 26.9 t -143.62 151.1 39.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 56.2 mt -107.64 136.19 47.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 55.5 mtp180 -111.01 105.81 14.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.458 HG11 ' N ' ' A' ' 52' ' ' ASN . 55.3 t -106.7 134.19 49.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.163 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.458 ' N ' HG11 ' A' ' 51' ' ' VAL . 1.2 m120 -126.65 101.98 26.38 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.632 0.729 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.563 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 53.9 Cg_endo -69.78 -33.59 16.24 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.7 2.266 . . . . 0.0 112.342 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.3 mttm -91.81 -14.54 29.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.82 161.87 21.06 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.527 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.0 mt -72.99 -51.63 17.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.814 0.34 . . . . 0.0 110.931 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -130.28 167.04 19.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -53.31 -16.53 1.35 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 54.7 tt0 -69.51 -44.95 70.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.8 t -118.72 40.81 3.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -90.56 -38.99 12.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.938 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -67.64 -34.19 76.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.561 ' CD2' ' HG2' ' A' ' 115' ' ' LYS . 14.3 m-85 -95.59 168.74 10.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.464 ' CD2' ' HA ' ' A' ' 53' ' ' PRO . 2.0 tm? -93.35 123.06 36.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 t -95.63 122.02 37.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.814 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.7 tp -129.55 114.08 15.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.537 ' CE2' ' O ' ' A' ' 113' ' ' PHE . 35.0 m-85 -125.51 140.15 53.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 29.6 tp -90.96 114.39 26.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.1 tp -102.68 140.13 37.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 20.2 tp -88.41 86.32 7.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.944 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.41 HG13 ' C ' ' A' ' 47' ' ' TRP . 0.2 OUTLIER -41.52 -63.42 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.861 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.4 t -147.55 149.05 31.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.901 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 25.8 p -141.02 141.76 25.14 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.617 0.722 . . . . 0.0 110.93 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.475 ' CD ' ' HB2' ' A' ' 45' ' ' LEU . 54.1 Cg_endo -69.75 -37.13 9.62 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.681 2.254 . . . . 0.0 112.379 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 12.7 pttm -107.08 153.9 21.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 33.0 m -39.92 -71.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.856 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -113.58 153.45 28.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.7 p -144.87 135.4 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.9 mtp180 -102.44 133.94 46.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -160.32 152.15 20.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.092 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 63.2 mttt -101.84 131.17 48.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.425 ' CZ ' ' HA2' ' A' ' 112' ' ' GLY . 52.9 p90 -113.75 148.99 35.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.409 ' CG ' ' HG2' ' A' ' 98' ' ' GLU . 1.0 OUTLIER -142.33 118.15 10.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.87 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -98.02 143.68 28.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.838 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 80.8 p -156.27 162.6 40.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.546 HD12 ' CE2' ' A' ' 116' ' ' PHE . 26.6 mt -123.06 130.71 74.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.145 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.3 mt -94.44 110.28 22.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.456 ' OD1' ' N ' ' A' ' 90' ' ' LYS . 28.8 p30 -61.21 -176.86 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -54.75 -30.67 57.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.123 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.456 ' N ' ' OD1' ' A' ' 88' ' ' ASN . 1.7 mppt? -90.1 19.25 5.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 57.05 27.49 57.28 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -101.08 137.25 39.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.833 0.349 . . . . 0.0 110.916 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -62.93 134.24 55.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 8.8 t -152.86 147.72 26.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.147 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.415 ' HE2' ' CE2' ' A' ' 121' ' ' PHE . 30.4 mmtm 50.83 52.44 14.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.869 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -101.01 160.41 14.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.09 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.565 ' HE1' ' CD2' ' A' ' 113' ' ' PHE . 5.8 ptp -129.45 140.79 51.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.957 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.409 ' HG2' ' CG ' ' A' ' 83' ' ' LYS . 20.8 mt-10 -119.38 149.13 42.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.91 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.6 t -94.19 153.57 18.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -78.6 -56.76 4.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.884 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 21.4 tpt180 -138.66 137.82 37.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.884 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -47.74 146.19 2.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.065 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -106.35 166.63 10.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 31.0 ttp180 -81.45 100.38 9.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -90.41 137.74 32.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.406 ' CG2' ' HB2' ' A' ' 109' ' ' LYS . 11.9 m -142.22 157.46 19.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.156 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -46.94 106.27 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 92.41 25.93 19.67 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.476 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.406 ' HB2' ' CG2' ' A' ' 106' ' ' VAL . 17.7 tptt -102.67 151.24 22.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.815 0.34 . . . . 0.0 110.92 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -133.73 125.0 27.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 82.0 m95 -141.49 131.45 24.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.425 ' HA2' ' CZ ' ' A' ' 82' ' ' PHE . . . 173.83 -141.09 5.83 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.46 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.565 ' CD2' ' HE1' ' A' ' 97' ' ' MET . 2.3 m-85 -121.17 162.21 20.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.898 0.38 . . . . 0.0 110.898 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 50.9 tttt -93.61 -49.65 5.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.561 ' HG2' ' CD2' ' A' ' 63' ' ' TYR . 7.4 mptt -111.52 96.3 6.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.546 ' CE2' HD12 ' A' ' 86' ' ' ILE . 12.0 t80 -78.34 -49.93 12.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 3.9 tt -174.08 145.37 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.151 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.411 ' O ' ' CD1' ' A' ' 122' ' ' LEU . 44.8 mtt180 -51.81 131.09 30.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.848 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 -61.87 -32.24 72.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.99 -32.32 69.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.852 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.593 ' CZ ' ' OD1' ' A' ' 127' ' ' ASN . 54.2 t80 -65.37 -19.68 66.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.411 ' CD1' ' O ' ' A' ' 118' ' ' ARG . 5.7 mp -85.51 -56.13 3.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.431 ' CD2' ' HB2' ' A' ' 22' ' ' SER . 4.7 mt -65.18 -23.96 67.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -54.39 155.96 3.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -91.62 -38.46 12.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -40.59 -46.12 2.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.102 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . 0.593 ' OD1' ' CZ ' ' A' ' 121' ' ' PHE . 20.5 m-80 -81.99 -44.74 16.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 72.6 34.21 60.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.496 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 56.5 mt -68.86 -22.86 64.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.881 0.372 . . . . 0.0 110.946 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.3 mt -129.33 79.56 73.88 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.648 0.737 . . . . 0.0 110.936 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -18.39 37.24 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.692 2.261 . . . . 0.0 112.354 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -129.18 27.07 5.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 59.5 28.58 18.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -125.62 127.73 46.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 29.7 tp -93.54 119.54 32.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 41.9 m -98.88 98.66 9.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.085 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.442 ' CD1' HG23 ' A' ' 51' ' ' VAL . 11.0 mt -91.47 111.57 23.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . 0.465 ' CE1' ' HB2' ' A' ' 13' ' ' SER . 7.3 t80 -99.69 102.29 13.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 36.9 t -106.71 147.83 29.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.886 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -132.04 115.53 15.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 59.2 t -104.59 130.15 55.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.118 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 13.8 m -120.82 114.58 21.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 64.0 t -86.24 125.19 40.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.13 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 19.6 m -82.19 101.44 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.135 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . 0.401 ' NE2' ' HB ' ' A' ' 10' ' ' VAL . 5.4 pt20 -128.64 122.08 30.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -43.42 -69.53 0.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 25.3 t -170.3 108.15 0.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 10.5 m -143.46 146.9 20.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -174.62 143.6 0.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 27.2 mm -93.61 102.02 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 28.9 t -55.49 128.72 35.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 75.12 68.26 1.58 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.469 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 11.4 tp60 -56.14 131.16 46.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.879 0.371 . . . . 0.0 110.878 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 15.2 m -97.71 98.54 9.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 166.45 -133.94 3.11 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.447 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 96.68 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.687 2.258 . . . . 0.0 112.392 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 51.4 p -149.95 149.42 30.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.84 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 39.4 m -79.61 154.65 28.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.493 -179.999 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.0 t -65.9 101.58 0.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.908 0.385 . . . . 0.0 110.887 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.1 t -109.04 88.51 2.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.834 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.07 -177.2 25.52 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.476 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.0 t -150.0 122.26 8.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.828 0.347 . . . . 0.0 110.911 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.7 m -120.58 108.37 13.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.12 -98.28 2.39 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.454 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.7 tttt -83.33 158.64 22.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.845 0.355 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.9 p -138.26 132.82 42.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.408 HG22 ' CD ' ' A' ' 145' ' ' GLN . 86.5 t -102.59 107.91 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.1 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.22 158.19 28.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.426 ' CD2' ' HB3' ' A' ' 39' ' ' SER . 17.2 p90 -144.36 147.56 33.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.859 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.436 ' HB2' ' CE1' ' A' ' 138' ' ' PHE . 81.7 p -107.79 130.13 55.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -125.78 110.6 13.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.94 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 34.3 ttm -87.7 114.03 23.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.875 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.423 ' CZ3' HG21 ' A' ' 51' ' ' VAL . 8.2 t90 -110.02 98.6 7.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 98.6 m -87.49 122.83 31.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 39.7 mt -101.14 101.93 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.177 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.03 132.45 45.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.484 ' N ' ' OD1' ' A' ' 20' ' ' ASN . 0.5 OUTLIER 69.21 51.16 0.53 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.502 ' CZ ' ' HB3' ' A' ' 53' ' ' PRO . 90.7 t80 -66.58 -46.17 76.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.8 p -67.58 -7.26 24.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.836 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.468 ' O ' ' C ' ' A' ' 24' ' ' CYS . 5.5 m-85 -89.24 -22.52 22.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.468 ' C ' ' O ' ' A' ' 23' ' ' PHE . 22.3 p -33.01 133.15 0.14 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -105.18 41.79 1.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -72.37 126.86 30.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.435 ' HG3' ' N ' ' A' ' 28' ' ' MET . 13.1 pt-20 -87.03 -53.68 4.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.939 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.435 ' N ' ' HG3' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -175.17 127.25 0.27 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.84 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 30' ' ' GLU . . . 80.25 -39.49 2.29 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 29' ' ' GLY . 22.8 mt-10 -34.41 139.4 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.946 0.403 . . . . 0.0 110.848 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.9 p -124.05 153.89 30.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.137 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 35.7 mt -108.41 102.82 14.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.11 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 55.3 mttt -84.99 134.87 34.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.408 ' HB3' ' CZ3' ' A' ' 16' ' ' TRP . 84.9 p -97.33 172.14 7.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.86 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 m -67.89 168.79 10.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 76.5 p -86.83 120.65 28.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -119.34 149.64 41.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 39' ' ' SER . 17.7 p -140.07 155.49 47.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.843 -179.772 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.426 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 62.7 p -35.12 -46.83 0.35 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -169.44 -143.48 3.89 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.49 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.88 155.06 21.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.813 0.34 . . . . 0.0 111.096 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 64.47 38.64 7.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -116.09 107.62 15.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -68.2 -37.28 80.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.48 HD23 ' NE1' ' A' ' 47' ' ' TRP . 2.6 tt -71.43 129.11 37.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.902 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.483 ' CB ' HG13 ' A' ' 71' ' ' VAL . 39.1 mmtm -122.72 160.6 25.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.48 ' NE1' HD23 ' A' ' 45' ' ' LEU . 57.5 m95 -137.73 152.6 49.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 34.7 t -137.47 147.62 45.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 18.9 mt -113.98 125.07 53.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.485 ' CZ ' ' HB2' ' A' ' 69' ' ' LEU . 15.8 mtm180 -103.26 116.38 32.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.423 HG21 ' CZ3' ' A' ' 16' ' ' TRP . 74.8 t -112.45 135.34 52.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.093 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -129.94 101.54 18.18 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.646 0.736 . . . . 0.0 110.887 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.502 ' HB3' ' CZ ' ' A' ' 21' ' ' PHE . 54.1 Cg_endo -69.67 -8.17 22.92 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.69 2.26 . . . . 0.0 112.384 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.8 tttp -121.92 6.19 9.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 72.7 -178.74 38.89 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.51 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 54.2 mt -95.8 -35.17 11.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.843 0.354 . . . . 0.0 110.952 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -135.54 171.44 14.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -58.75 -22.87 58.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.417 ' HG2' ' NZ ' ' A' ' 114' ' ' LYS . 12.4 tt0 -65.72 -62.74 1.34 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 28.1 t -100.48 40.78 1.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -84.4 -29.68 25.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.862 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -75.81 -26.7 57.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -99.02 170.23 8.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.493 ' CD2' ' HA ' ' A' ' 53' ' ' PRO . 2.3 tm? -92.87 126.59 38.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.951 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.445 ' N ' HD11 ' A' ' 64' ' ' LEU . 3.7 t -103.08 108.01 19.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 27.1 tp -119.39 125.8 49.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.456 ' CE2' ' O ' ' A' ' 113' ' ' PHE . 47.0 m-85 -130.71 163.51 27.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.928 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.457 ' CD2' ' HB3' ' A' ' 82' ' ' PHE . 66.9 tp -116.63 99.51 7.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.485 ' HB2' ' CZ ' ' A' ' 50' ' ' ARG . 5.6 tp -91.18 136.35 33.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.476 HD22 ' N ' ' A' ' 106' ' ' VAL . 50.3 tp -83.79 83.2 8.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.483 HG13 ' CB ' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -36.87 -64.29 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 179.831 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.428 ' N ' HG22 ' A' ' 71' ' ' VAL . 9.9 t -146.31 159.56 43.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 12.1 p -154.52 139.38 11.78 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.605 0.716 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -51.27 0.4 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.711 2.274 . . . . 0.0 112.303 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.8 ptpt -79.91 152.12 29.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.3 m -46.07 -52.45 11.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -134.91 153.56 52.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.4 p -145.61 141.58 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.137 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 42.1 mtp180 -113.4 135.87 53.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -159.88 156.9 28.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.076 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -102.22 128.85 48.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.457 ' HB3' ' CD2' ' A' ' 68' ' ' LEU . 51.6 p90 -108.79 141.38 40.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.494 ' CG ' ' HB3' ' A' ' 98' ' ' GLU . 0.0 OUTLIER -135.09 134.71 40.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.915 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -113.91 146.58 39.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.874 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 75.1 p -161.1 153.67 20.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.862 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 50.7 mt -116.41 132.83 64.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.147 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.3 mt -96.85 112.71 24.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.469 ' OD1' ' N ' ' A' ' 90' ' ' LYS . 23.2 p30 -62.18 -176.62 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.59 -32.03 64.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.081 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.469 ' N ' ' OD1' ' A' ' 88' ' ' ASN . 6.8 mptt -88.1 18.57 4.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.858 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 55.1 31.79 56.37 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.495 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -107.49 135.32 49.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.826 0.345 . . . . 0.0 110.889 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -53.95 137.5 39.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.9 t -161.03 143.84 12.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.53 ' HE3' ' CE2' ' A' ' 121' ' ' PHE . 28.3 mmtt 51.49 49.38 21.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -101.65 163.51 12.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.104 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.499 ' HE2' ' CG ' ' A' ' 113' ' ' PHE . 12.9 mtm -138.59 116.76 11.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.494 ' HB3' ' CG ' ' A' ' 83' ' ' LYS . 3.0 pt-20 -129.41 149.86 51.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 37.3 t -129.52 161.01 31.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -107.11 51.0 0.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.947 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 24.9 mtt180 -160.98 137.54 8.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -96.75 152.17 18.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -113.43 157.44 21.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.7 ttm105 -76.66 99.67 5.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.402 ' C ' HG13 ' A' ' 106' ' ' VAL . 22.9 m-85 -89.63 141.84 28.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.476 ' N ' HD22 ' A' ' 70' ' ' LEU . 20.0 m -151.94 159.83 3.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.115 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -47.9 98.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 99.43 23.47 11.11 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.489 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.448 ' HB2' ' CG2' ' A' ' 106' ' ' VAL . 18.4 tptt -98.85 144.11 28.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.808 0.337 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -127.24 126.08 42.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 45.2 m95 -144.48 122.57 12.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 179.1 -152.16 10.91 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.526 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.499 ' CG ' ' HE2' ' A' ' 97' ' ' MET . 21.8 m-85 -119.33 156.41 30.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.916 0.388 . . . . 0.0 110.876 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.417 ' NZ ' ' HG2' ' A' ' 59' ' ' GLU . 12.1 tttm -88.83 -54.65 4.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 49.8 mttt -102.57 98.33 8.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -83.59 -57.34 3.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.549 HD11 ' CD2' ' A' ' 121' ' ' PHE . 4.8 tt -161.79 149.59 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -62.28 113.11 2.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 7.5 ttp180 -44.23 -44.63 8.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -49.04 -43.74 40.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.617 ' CE1' ' ND2' ' A' ' 127' ' ' ASN . 72.9 t80 -58.29 -43.04 87.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 13.4 mt -54.88 -63.3 1.2 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.482 ' CD1' ' N ' ' A' ' 123' ' ' LEU . 3.3 mp -62.37 -33.34 74.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 123' ' ' LEU . 9.6 t0 -34.37 141.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -84.69 -33.64 23.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -50.01 -37.98 35.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.095 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . 0.617 ' ND2' ' CE1' ' A' ' 121' ' ' PHE . 35.7 m-80 -93.97 -44.75 7.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.86 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 71.81 43.78 49.6 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.518 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.465 ' CD2' ' HB2' ' A' ' 127' ' ' ASN . 3.5 mm? -63.39 -20.94 65.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.812 0.339 . . . . 0.0 110.863 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.3 mt -128.04 85.42 60.62 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.632 0.73 . . . . 0.0 110.943 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -30.27 22.55 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.686 2.257 . . . . 0.0 112.338 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -120.38 26.45 9.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 63.34 26.0 14.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -124.79 126.57 45.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 46.7 tp -89.15 104.47 17.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.959 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 58.3 m -82.66 99.38 9.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.143 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 7.4 mt -95.42 117.57 30.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . 0.436 ' CE1' ' HB2' ' A' ' 13' ' ' SER . 6.8 t80 -102.71 110.6 22.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 18.7 t -112.91 141.96 46.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -126.41 112.86 16.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 59.1 t -103.25 128.71 56.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 16.1 m -118.35 112.17 19.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 59.0 t -84.16 132.27 31.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 19.8 m -91.12 99.54 9.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.082 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . 0.408 ' CD ' HG22 ' A' ' 10' ' ' VAL . 4.7 pt20 -125.61 146.54 49.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 147' ' ' SER . 1.1 m-20 -79.83 44.25 0.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 146' ' ' ASP . 2.7 t 34.73 41.63 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 36.0 m -62.15 150.52 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.107 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 -54.09 -47.46 71.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 87.9 mt -38.2 -53.33 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.168 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 51.7 p -85.49 150.98 24.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 171.39 133.78 1.68 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.516 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -70.48 145.68 50.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.816 0.341 . . . . 0.0 110.935 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 49.2 m -142.56 175.14 10.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -166.27 142.78 7.88 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.53 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 0.99 4.88 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.665 2.243 . . . . 0.0 112.342 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 24.9 p 45.95 41.62 8.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 36.6 p -50.98 155.9 1.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.841 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.514 -179.958 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m 46.25 47.32 13.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.836 0.35 . . . . 0.0 110.862 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.1 m -76.41 116.86 17.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.49 119.69 6.56 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.471 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -95.39 -45.84 6.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.881 0.372 . . . . 0.0 110.863 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -138.4 124.06 19.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.812 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.89 104.34 1.2 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.484 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 41.8 tttm -68.49 156.28 38.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.795 0.331 . . . . 0.0 110.92 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.2 p -134.0 135.93 54.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 85.5 t -103.73 103.07 14.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.134 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.458 ' CB ' ' HA ' ' A' ' 142' ' ' SER . 0.0 OUTLIER -115.31 170.0 8.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.916 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.51 ' CG ' ' HA ' ' A' ' 39' ' ' SER . 6.8 p90 -159.51 151.7 20.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 98.2 p -113.17 153.14 28.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.866 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -147.16 109.83 4.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.922 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.455 ' HE1' ' CG2' ' A' ' 136' ' ' THR . 0.2 OUTLIER -84.62 126.49 33.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.544 ' NE1' ' CG1' ' A' ' 18' ' ' ILE . 6.0 t90 -121.33 100.21 6.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.933 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 59.5 m -93.15 100.37 12.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.141 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.544 ' CG1' ' NE1' ' A' ' 16' ' ' TRP . 70.6 mt -78.32 100.34 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.143 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.612 ' H ' ' ND2' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -67.61 131.82 46.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.924 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.484 ' N ' ' OD1' ' A' ' 20' ' ' ASN . 0.3 OUTLIER 69.04 50.82 0.56 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -61.94 -53.56 54.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.3 t -57.91 -16.51 12.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.437 ' O ' ' C ' ' A' ' 24' ' ' CYS . 5.6 m-85 -85.02 -22.93 28.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.849 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.437 ' C ' ' O ' ' A' ' 23' ' ' PHE . 19.8 p -34.24 121.84 0.48 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.2 tpt85 -117.97 50.07 1.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.457 ' HG3' ' CB ' ' A' ' 30' ' ' GLU . 3.6 tp10 -97.0 130.56 44.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -68.97 166.36 18.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.2 ttm -55.53 152.6 8.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.11 -58.44 5.0 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.536 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.457 ' CB ' ' HG3' ' A' ' 26' ' ' GLU . 0.6 OUTLIER -42.3 159.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.847 0.356 . . . . 0.0 110.885 -179.897 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.476 HG23 ' ND2' ' A' ' 52' ' ' ASN . 7.3 p -139.54 149.26 22.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.103 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.0 mt -96.4 98.6 7.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.095 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.0 mtmt -93.12 123.24 36.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 81.0 p -82.7 175.34 10.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.853 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.9 m -65.55 167.7 8.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.851 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.9 p -83.8 120.73 26.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.165 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 10.8 p90 -112.33 166.96 10.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.1 p -139.91 -176.03 4.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.51 ' HA ' ' CG ' ' A' ' 12' ' ' PHE . 13.6 t -66.68 -48.31 69.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -169.65 -71.62 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.528 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.92 166.75 20.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.816 0.341 . . . . 0.0 111.103 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -51.76 91.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.966 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -100.85 135.8 41.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.842 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 46.1 mmtt -57.72 -54.01 51.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.468 HD22 ' NE1' ' A' ' 47' ' ' TRP . 3.2 tt -59.65 126.86 29.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.926 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.467 ' C ' ' CG1' ' A' ' 71' ' ' VAL . 56.9 mmtt -116.04 155.77 27.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.468 ' NE1' HD22 ' A' ' 45' ' ' LEU . 70.6 m95 -132.41 152.32 51.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.884 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 19.8 p -141.37 142.53 33.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.0 mt -103.1 132.71 49.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 21.6 mtt180 -109.91 102.17 10.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.479 HG21 ' CD1' ' A' ' 66' ' ' LEU . 60.2 t -106.34 134.76 46.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.476 ' ND2' HG23 ' A' ' 31' ' ' VAL . 4.8 m-80 -134.8 100.77 11.96 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.624 0.726 . . . . 0.0 110.905 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.457 ' HA ' ' CD2' ' A' ' 64' ' ' LEU . 54.5 Cg_endo -69.79 -43.47 2.62 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.649 2.232 . . . . 0.0 112.362 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.1 mttp -78.46 9.95 3.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.923 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 58.14 -173.87 2.82 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 22.5 mt -103.38 -49.93 3.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.833 0.349 . . . . 0.0 110.945 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.87 167.2 11.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -60.2 -10.34 4.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -78.1 -42.13 32.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.0 m -118.52 36.61 4.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.876 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.456 ' CG ' ' N ' ' A' ' 62' ' ' ASP . 2.9 ptmm? -77.74 -48.59 16.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.456 ' N ' ' CG ' ' A' ' 61' ' ' LYS . 32.4 m-20 -68.85 -19.48 64.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -98.55 159.57 14.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.457 ' CD2' ' HA ' ' A' ' 53' ' ' PRO . 0.1 OUTLIER -88.66 123.28 32.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.963 179.916 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.417 ' N ' HD12 ' A' ' 64' ' ' LEU . 17.7 t -104.26 117.04 33.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.486 ' CD1' HD11 ' A' ' 137' ' ' LEU . 8.9 tt -128.42 140.12 52.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.966 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.509 ' CE1' ' O ' ' A' ' 113' ' ' PHE . 59.8 m-85 -143.9 150.75 38.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.407 ' CD2' ' HB3' ' A' ' 82' ' ' PHE . 50.0 tp -99.82 111.93 24.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.894 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.6 tp -105.01 143.24 33.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.45 ' O ' ' C ' ' A' ' 71' ' ' VAL . 51.7 tp -91.78 82.48 5.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.467 ' CG1' ' C ' ' A' ' 46' ' ' LYS . 1.3 p -34.12 -57.2 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.121 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.1 m -155.58 152.59 28.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.835 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.409 ' HB3' ' CD2' ' A' ' 70' ' ' LEU . 30.5 p -141.19 144.75 35.79 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.634 0.73 . . . . 0.0 110.864 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -50.72 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.649 2.233 . . . . 0.0 112.322 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.9 pttm -92.26 167.5 11.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.93 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 t -45.01 -64.34 0.73 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -128.61 166.22 19.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.7 p -150.05 140.05 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.17 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 18.6 mtp85 -105.18 133.14 50.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -161.39 156.1 23.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.082 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 25.2 mttp -102.2 143.18 32.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.407 ' HB3' ' CD2' ' A' ' 68' ' ' LEU . 24.2 p90 -122.3 146.07 47.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.456 ' CG ' ' HG2' ' A' ' 98' ' ' GLU . 3.2 tmmm? -139.81 114.91 9.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -98.27 137.86 36.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.415 ' CB ' ' HB3' ' A' ' 96' ' ' ALA . 93.2 p -152.91 164.53 37.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 36.1 mt -123.31 128.68 74.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.116 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.7 mt -91.35 114.57 27.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.459 ' OD1' ' N ' ' A' ' 90' ' ' LYS . 25.9 p30 -61.94 178.1 0.39 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -52.13 -30.18 25.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.102 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.459 ' N ' ' OD1' ' A' ' 88' ' ' ASN . 0.5 OUTLIER -89.71 19.22 4.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.76 32.23 61.63 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -106.59 137.51 44.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.854 0.359 . . . . 0.0 110.879 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -61.98 131.6 50.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.2 t -155.1 146.49 22.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.137 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 40.1 mmtt 54.27 51.71 13.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.415 ' HB3' ' CB ' ' A' ' 85' ' ' SER . . . -102.47 157.65 16.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.085 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.52 ' HE1' ' CG ' ' A' ' 113' ' ' PHE . 16.3 mtm -132.52 124.82 29.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.456 ' HG2' ' CG ' ' A' ' 83' ' ' LYS . 37.4 mt-10 -99.2 159.62 14.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 8.3 t -100.99 146.73 27.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -62.21 -60.28 3.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.432 ' O ' ' CD1' ' A' ' 103' ' ' TYR . 11.1 ttm180 -144.49 145.88 32.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.823 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -42.08 159.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.085 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.432 ' CD1' ' O ' ' A' ' 101' ' ' ARG . 8.9 m-85 -124.61 161.22 26.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 20.7 ttm180 -75.52 98.81 4.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -90.54 131.92 36.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 10.9 m -140.02 158.13 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.154 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -47.65 104.24 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 95.97 25.27 13.23 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.504 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 15.6 tptt -101.6 146.03 28.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.759 0.314 . . . . 0.0 110.947 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.8 p-10 -132.6 122.41 24.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 76.0 m95 -134.46 125.47 27.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 177.08 -159.5 25.91 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.462 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.52 ' CG ' ' HE1' ' A' ' 97' ' ' MET . 56.6 m-85 -115.37 163.32 15.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.925 0.393 . . . . 0.0 110.916 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 28.6 tttp -90.99 -51.11 5.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 30.8 mttt -101.62 89.26 3.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -75.48 -47.3 27.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 4.0 tt -173.61 145.58 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.101 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 31.4 mtt180 -61.65 108.42 0.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.432 ' HD2' ' CA ' ' A' ' 53' ' ' PRO . 31.2 mtp180 -45.5 -43.63 11.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -46.99 -40.11 13.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.806 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.593 ' CE1' ' OD1' ' A' ' 127' ' ' ASN . 47.1 t80 -63.88 -35.85 81.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.47 ' HA ' ' CD1' ' A' ' 129' ' ' LEU . 8.6 mp -69.63 -58.42 3.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.956 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.465 HD11 ' N ' ' A' ' 123' ' ' LEU . 6.7 mp -55.94 -15.55 3.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -75.68 122.38 23.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -70.72 -33.52 70.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -46.65 -31.67 3.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.13 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . 0.593 ' OD1' ' CE1' ' A' ' 121' ' ' PHE . 50.1 m-80 -86.17 -37.91 18.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 92.82 -9.47 75.47 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.465 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.47 ' CD1' ' HA ' ' A' ' 122' ' ' LEU . 42.9 mt -40.87 -32.8 0.25 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.824 0.345 . . . . 0.0 110.886 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 11.6 mt -134.37 88.5 29.84 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.603 0.716 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -34.42 14.7 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.696 2.264 . . . . 0.0 112.37 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -125.13 22.64 7.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 70.45 41.57 0.97 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 4.4 mtpt -121.79 130.75 53.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.402 ' CD1' ' HG ' ' A' ' 137' ' ' LEU . 1.3 tm? -94.64 94.03 7.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' THR . . . . . 0.455 ' CG2' ' HE1' ' A' ' 15' ' ' MET . 22.5 m -87.7 98.62 11.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.486 HD11 ' CD1' ' A' ' 66' ' ' LEU . 1.2 mt -97.04 120.02 36.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -102.84 101.81 11.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.833 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 51.1 t -105.05 153.7 21.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -139.25 113.79 9.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 50.1 t -102.0 127.1 55.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.11 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' SER . . . . . 0.458 ' HA ' ' CB ' ' A' ' 11' ' ' LYS . 14.8 m -112.17 108.19 17.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 35.8 t -87.44 126.13 41.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 16.6 m -79.62 112.07 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.105 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -118.41 147.06 43.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -118.16 -68.34 0.92 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' SER . . . . . 0.467 ' O ' ' CG1' ' A' ' 148' ' ' VAL . 23.4 p -126.13 64.44 1.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.891 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.467 ' CG1' ' O ' ' A' ' 147' ' ' SER . 27.4 m -160.38 140.92 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.111 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 29.5 t30 -147.83 179.5 7.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 5.0 mp -55.02 130.83 17.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 15.2 t -161.62 172.19 16.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . -173.06 147.51 9.73 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.48 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -69.25 113.94 7.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.82 0.343 . . . . 0.0 110.944 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.9 t -86.95 167.02 14.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.902 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 146.96 171.77 16.53 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 2.25 3.72 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.706 2.271 . . . . 0.0 112.318 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 22.8 t -119.28 170.08 9.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.837 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 47.4 t -39.99 139.36 0.69 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.493 -179.988 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.408 ' O ' HG13 ' A' ' 9' ' ' VAL . 7.1 p . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.867 0.365 . . . . 0.0 111.101 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 78.8 t -89.68 108.45 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.94 155.82 29.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -158.18 140.01 13.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.573 ' HB2' ' CZ ' ' A' ' 138' ' ' PHE . 81.3 p -108.31 151.14 26.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.807 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.447 ' CB ' ' CD2' ' A' ' 37' ' ' PHE . 9.7 t80 -141.36 117.03 10.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.937 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.492 ' HG2' HG23 ' A' ' 136' ' ' THR . 30.9 ttm -84.74 122.25 28.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.557 ' CZ2' HD11 ' A' ' 18' ' ' ILE . 10.1 t90 -117.89 102.92 9.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 38.6 m -95.92 109.94 22.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.101 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.557 HD11 ' CZ2' ' A' ' 16' ' ' TRP . 33.9 mt -90.62 98.85 8.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.64 128.3 35.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 73.14 49.54 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.923 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -62.38 -29.41 70.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.5 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 -179.826 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.878 0.371 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.825 HG21 ' HB3' ' A' ' 50' ' ' ARG . 9.5 p -134.09 151.12 31.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.144 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 46.2 mt -104.41 112.02 36.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.166 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 38.6 mttt -96.42 126.18 41.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 84.5 p -90.47 163.2 14.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.0 m -51.61 173.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.807 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 48.6 p -90.46 130.85 36.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.155 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.447 ' CD2' ' CB ' ' A' ' 14' ' ' TYR . 2.5 p90 -123.04 145.4 48.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.5 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.79 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.864 0.364 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.1 tp -80.39 109.98 15.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 43.7 mmtt -108.61 167.54 9.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 55.9 m95 -145.1 153.89 41.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.482 ' SG ' HD23 ' A' ' 69' ' ' LEU . 5.3 p -142.9 156.75 44.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.431 HD21 ' SG ' ' A' ' 139' ' ' CYS . 80.0 mt -116.98 133.87 55.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.825 ' HB3' HG21 ' A' ' 31' ' ' VAL . 30.3 mtp180 -111.77 102.84 11.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.574 HG22 ' HG ' ' A' ' 66' ' ' LEU . 47.2 t -104.26 146.01 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.769 ' OD1' HG23 ' A' ' 31' ' ' VAL . 4.4 m120 -129.98 106.21 16.63 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.656 0.741 . . . . 0.0 110.862 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.558 ' HA ' HD12 ' A' ' 64' ' ' LEU . 53.5 Cg_endo -69.78 -49.47 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.672 2.248 . . . . 0.0 112.335 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.6 mttt -83.34 22.31 1.04 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.05 175.6 11.59 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.496 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.8 tp -113.23 -41.35 3.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.794 0.331 . . . . 0.0 110.882 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -123.49 174.32 7.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -74.5 -13.31 60.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -82.48 -36.62 26.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 75.5 p -118.32 31.54 6.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.902 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -67.92 -28.79 67.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -77.39 -39.46 47.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.598 ' CD2' ' HG2' ' A' ' 118' ' ' ARG . 3.6 m-85 -92.71 173.41 7.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.558 HD12 ' HA ' ' A' ' 53' ' ' PRO . 5.2 tp -89.7 145.45 25.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 m -116.3 99.23 7.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 1.057 HD23 ' N ' ' A' ' 67' ' ' TYR . 5.8 tt -107.98 148.24 29.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 1.057 ' N ' HD23 ' A' ' 66' ' ' LEU . 78.4 m-85 -154.78 143.81 20.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.957 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.622 HD22 ' HB3' ' A' ' 82' ' ' PHE . 34.7 tp -93.0 112.88 24.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.919 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.482 HD23 ' SG ' ' A' ' 48' ' ' CYS . 6.1 tp -104.14 140.71 37.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.65 HD21 ' HB3' ' A' ' 73' ' ' CYS . 41.4 tp -89.23 84.0 6.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.619 HG13 ' H ' ' A' ' 72' ' ' SER . 0.4 OUTLIER -37.37 -64.29 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.832 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.619 ' H ' HG13 ' A' ' 71' ' ' VAL . 18.2 t -147.1 149.92 34.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.65 ' HB3' HD21 ' A' ' 70' ' ' LEU . 25.6 p -142.24 144.7 32.41 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.606 0.717 . . . . 0.0 110.888 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -48.54 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.657 2.238 . . . . 0.0 112.341 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.3 pttt -93.79 165.56 12.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.6 m -46.32 -71.48 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -119.45 158.96 25.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -144.88 137.94 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.155 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.9 mtt180 -105.23 132.36 51.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -159.83 158.48 31.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 61.1 mttt -103.85 135.9 44.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.622 ' HB3' HD22 ' A' ' 68' ' ' LEU . 44.4 p90 -116.05 154.28 30.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.516 ' CG ' ' HB3' ' A' ' 98' ' ' GLU . 0.0 OUTLIER -148.09 120.2 8.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -99.97 140.87 33.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 92.4 p -153.12 156.0 37.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 34.5 mt -114.85 128.68 71.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.179 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 mt -95.01 108.37 20.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.489 ' OD1' ' N ' ' A' ' 90' ' ' LYS . 27.8 p30 -57.77 179.41 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -54.65 -25.31 26.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.052 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.489 ' N ' ' OD1' ' A' ' 88' ' ' ASN . 0.8 OUTLIER -94.27 19.4 9.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.951 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.44 28.73 56.05 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.493 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -102.76 142.36 34.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.814 0.34 . . . . 0.0 110.901 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -68.21 133.54 49.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.4 t -156.91 139.32 14.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.159 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.561 ' HE2' ' CE2' ' A' ' 121' ' ' PHE . 31.6 mmtm 59.47 43.92 15.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.88 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -95.75 147.49 23.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.096 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.541 ' HE3' ' CD2' ' A' ' 113' ' ' PHE . 20.6 mtm -120.76 111.9 18.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.827 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.516 ' HB3' ' CG ' ' A' ' 83' ' ' LYS . 3.0 pt-20 -120.23 148.38 43.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.1 t -131.86 141.9 49.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -91.39 45.08 1.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.957 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -146.35 137.88 24.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -100.73 137.52 39.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -108.3 163.78 12.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.914 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -82.38 119.46 24.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.576 ' CZ ' HD23 ' A' ' 68' ' ' LEU . 33.8 m-85 -108.61 136.11 48.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.634 HG22 ' HB2' ' A' ' 109' ' ' LYS . 17.1 m -143.15 149.43 18.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.134 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -41.78 95.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 106' ' ' VAL . . . 108.55 18.64 9.4 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.492 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.634 ' HB2' HG22 ' A' ' 106' ' ' VAL . 14.4 tptt -102.0 135.23 43.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.768 0.318 . . . . 0.0 110.863 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -121.74 125.16 45.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 88.5 m95 -137.1 132.92 34.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 178.83 -142.87 5.58 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.482 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.541 ' CD2' ' HE3' ' A' ' 97' ' ' MET . 20.1 m-85 -132.16 152.58 51.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.938 0.399 . . . . 0.0 110.887 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 19.9 tttt -78.98 -54.59 5.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -103.23 95.86 6.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -88.22 -49.67 6.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.486 HG13 ' N ' ' A' ' 118' ' ' ARG . 8.2 tp -159.29 153.21 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.138 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.598 ' HG2' ' CD2' ' A' ' 63' ' ' TYR . 18.2 mtt180 -74.83 117.03 16.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 22.3 ttp180 -51.48 -38.01 51.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -65.77 -23.11 66.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.561 ' CE2' ' HE2' ' A' ' 95' ' ' LYS . 31.0 t80 -75.7 -42.94 49.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.939 ' HA ' HD12 ' A' ' 129' ' ' LEU . 5.8 mp -59.72 -56.34 23.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 9.1 mt -58.21 -18.92 29.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -59.92 142.44 53.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -82.17 -36.07 27.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.855 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -46.09 -43.04 14.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.12 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' ASN . . . . . 0.554 ' OD1' ' CZ ' ' A' ' 121' ' ' PHE . 51.0 m-80 -83.04 -41.6 18.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 70.8 29.17 69.66 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.465 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.939 HD12 ' HA ' ' A' ' 122' ' ' LEU . 45.8 mt -62.96 -22.67 66.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.872 0.368 . . . . 0.0 110.909 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.698 HD23 ' O ' ' A' ' 129' ' ' LEU . 2.7 mt -134.21 85.26 39.58 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.595 0.712 . . . . 0.0 110.904 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -25.44 28.44 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.676 2.251 . . . . 0.0 112.341 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -133.39 26.71 4.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 66.36 32.07 7.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -113.8 120.02 39.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.726 HD11 ' HG ' ' A' ' 137' ' ' LEU . 3.5 tm? -93.16 101.55 13.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' THR . . . . . 0.492 HG23 ' HG2' ' A' ' 15' ' ' MET . 85.0 m -93.74 103.98 16.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.123 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.726 ' HG ' HD11 ' A' ' 135' ' ' LEU . 5.7 mt -101.33 110.41 22.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 138' ' ' PHE . . . . . 0.573 ' CZ ' ' HB2' ' A' ' 13' ' ' SER . 29.1 t80 -91.37 105.74 17.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.857 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 139' ' ' CYS . . . . . 0.431 ' SG ' HD21 ' A' ' 49' ' ' LEU . 51.7 t -103.28 149.83 24.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -135.14 117.99 16.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 20.7 t -110.6 135.33 50.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.136 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 10.7 m -126.01 108.37 11.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.83 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 91.4 t -84.72 124.38 39.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.125 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 144' ' ' VAL . 29.8 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 143' ' ' VAL . 7.2 p . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.902 0.382 . . . . 0.0 111.108 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 99.5 t -87.63 110.19 20.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.02 157.34 27.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 11.2 p90 -153.39 143.56 22.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.466 ' HB2' ' CE1' ' A' ' 138' ' ' PHE . 80.7 p -107.59 126.91 53.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.831 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -120.29 116.87 26.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 30.3 ttm -93.88 122.23 36.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.879 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.601 ' CZ2' HD11 ' A' ' 18' ' ' ILE . 8.7 t90 -118.44 100.4 7.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.948 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 85.3 m -91.64 108.93 20.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.183 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.601 HD11 ' CZ2' ' A' ' 16' ' ' TRP . 38.5 mt -88.68 103.98 14.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.146 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.452 ' C ' ' CG ' ' A' ' 20' ' ' ASN . 0.5 OUTLIER -66.13 147.53 53.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.452 ' CG ' ' C ' ' A' ' 19' ' ' ASN . 0.7 OUTLIER 48.58 47.42 20.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.935 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -61.06 -16.36 42.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.849 -179.828 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.925 0.393 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.412 HG21 ' HB3' ' A' ' 50' ' ' ARG . 7.5 p -137.13 151.19 26.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.158 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 55.3 mt -101.2 107.1 20.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.6 mttt -91.18 130.77 37.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.403 ' HB3' ' CE3' ' A' ' 16' ' ' TRP . 89.9 p -93.27 176.31 6.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 m -63.5 177.68 0.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.432 HG22 HG11 ' A' ' 71' ' ' VAL . 31.1 p -97.23 120.89 38.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.167 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 12.8 p90 -119.61 139.13 52.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 65.3 p . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.806 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.827 0.346 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.658 HD21 ' HZ2' ' A' ' 47' ' ' TRP . 19.4 tp -82.66 123.96 29.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.945 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.1 mmtm -118.56 167.96 11.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.658 ' HZ2' HD21 ' A' ' 45' ' ' LEU . 62.2 m95 -147.9 151.39 35.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.926 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.444 ' SG ' ' N ' ' A' ' 49' ' ' LEU . 29.0 t -138.32 161.69 36.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.478 HD22 HD11 ' A' ' 66' ' ' LEU . 22.8 mt -118.78 128.45 54.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.481 HH11 HD13 ' A' ' 69' ' ' LEU . 55.7 mtp180 -107.14 105.7 15.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.813 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.2 t -104.41 138.96 26.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.057 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.557 ' ND2' ' N ' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -130.85 102.23 16.36 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.602 0.715 . . . . 0.0 110.857 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 52' ' ' ASN . 53.5 Cg_endo -69.79 -46.04 1.36 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.683 2.256 . . . . 0.0 112.333 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.7 mtpt -81.46 -14.19 57.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.874 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.35 177.8 51.98 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.459 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.588 HD22 ' N ' ' A' ' 56' ' ' LEU . 2.5 mm? -76.11 -47.1 25.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.817 0.341 . . . . 0.0 110.904 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -143.98 177.62 8.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.839 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -51.3 -22.49 2.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -61.8 -57.17 12.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.938 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 81.8 p -98.73 40.94 1.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.809 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -84.82 -34.32 22.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -70.57 -47.03 62.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.823 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.432 ' CD2' ' CG ' ' A' ' 115' ' ' LYS . 2.6 m-85 -97.53 162.77 13.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.497 HD23 ' N ' ' A' ' 65' ' ' SER . 9.8 tt -89.22 154.88 19.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.915 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.497 ' N ' HD23 ' A' ' 64' ' ' LEU . 1.0 OUTLIER -119.55 122.94 42.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.627 HD12 ' N ' ' A' ' 67' ' ' TYR . 5.0 tp -131.17 125.38 32.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.627 ' N ' HD12 ' A' ' 66' ' ' LEU . 61.7 m-85 -133.4 143.75 49.1 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 17.5 tp -93.68 105.38 17.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.929 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.481 HD13 HH11 ' A' ' 50' ' ' ARG . 6.5 tp -94.98 145.89 24.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.803 HD21 ' HB3' ' A' ' 73' ' ' CYS . 12.6 tp -95.01 84.87 4.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.578 HG13 ' H ' ' A' ' 72' ' ' SER . 0.2 OUTLIER -38.96 -63.65 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 179.822 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.578 ' H ' HG13 ' A' ' 71' ' ' VAL . 43.0 t -147.01 144.54 29.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.803 ' HB3' HD21 ' A' ' 70' ' ' LEU . 28.2 p -137.01 143.81 43.8 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.613 0.72 . . . . 0.0 110.891 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.412 ' HD2' HD13 ' A' ' 45' ' ' LEU . 53.8 Cg_endo -69.76 -46.82 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.666 2.244 . . . . 0.0 112.375 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.1 pttm -97.07 157.1 16.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.1 m -40.81 -69.77 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.816 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -118.02 159.2 23.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -147.28 141.25 19.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.132 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.4 mtp-105 -110.57 131.95 54.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -159.34 158.39 32.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.066 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.523 ' HG3' ' HB2' ' A' ' 102' ' ' ALA . 56.5 mttt -102.96 135.36 44.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -121.31 148.08 44.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.406 ' C ' ' HD2' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -138.56 127.82 24.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -106.71 142.8 35.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.847 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.471 ' HB3' ' CB ' ' A' ' 96' ' ' ALA . 23.5 p -157.03 163.37 39.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.551 HD11 HG21 ' A' ' 117' ' ' ILE . 26.3 mt -123.22 136.46 59.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.14 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.1 mt -98.62 109.47 22.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.578 ' HA ' HD13 ' A' ' 129' ' ' LEU . 41.1 p30 -60.26 -176.6 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.941 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.436 ' HB2' ' O ' ' A' ' 128' ' ' GLY . . . -55.71 -29.27 59.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.075 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.405 ' N ' ' OD1' ' A' ' 88' ' ' ASN . 1.3 mppt? -88.9 16.49 6.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 55.78 30.06 55.86 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.453 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -105.94 134.75 48.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.817 0.341 . . . . 0.0 110.903 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -54.83 132.73 46.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.518 HG21 HD11 ' A' ' 129' ' ' LEU . 5.7 t -153.52 149.43 27.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.163 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.521 ' HE2' ' CE1' ' A' ' 121' ' ' PHE . 34.0 mmtm 50.39 52.72 14.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.471 ' CB ' ' HB3' ' A' ' 85' ' ' SER . . . -103.9 152.74 21.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.088 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 19.6 mtm -126.71 120.1 28.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -93.88 157.65 16.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 28.5 t -100.63 157.99 16.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.453 ' NE2' ' HB3' ' A' ' 101' ' ' ARG . 3.4 pp0? -87.95 -38.01 15.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.941 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.453 ' HB3' ' NE2' ' A' ' 100' ' ' GLN . 37.7 ttt180 -153.73 164.01 39.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.523 ' HB2' ' HG3' ' A' ' 81' ' ' LYS . . . -72.9 160.12 32.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -119.71 163.98 16.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.949 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 15.8 ttm180 -82.36 96.19 7.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -87.28 148.78 24.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.609 HG22 ' HB2' ' A' ' 109' ' ' LYS . 13.8 m -153.58 145.66 14.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.121 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 106' ' ' VAL . 5.9 tt0 -37.69 97.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 106' ' ' VAL . . . 103.87 23.23 8.33 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.492 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.609 ' HB2' HG22 ' A' ' 106' ' ' VAL . 19.7 tptt -103.27 144.48 31.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.828 0.347 . . . . 0.0 110.872 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -130.47 121.04 25.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 94.9 m95 -133.24 134.66 44.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 169.19 -159.43 32.4 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.46 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -117.77 137.83 52.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.894 0.378 . . . . 0.0 110.866 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -66.1 -62.2 1.62 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.432 ' CG ' ' CD2' ' A' ' 63' ' ' TYR . 1.3 mptm? -87.01 91.44 8.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.447 ' CD2' HG22 ' A' ' 117' ' ' ILE . 10.1 t80 -78.86 -52.11 8.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.551 HG21 HD11 ' A' ' 86' ' ' ILE . 2.1 tt -170.96 146.68 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.114 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.409 ' HG2' ' CD1' ' A' ' 63' ' ' TYR . 25.1 mtt180 -54.64 119.51 5.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.42 ' HA ' HD13 ' A' ' 122' ' ' LEU . 14.3 ttt180 -53.83 -45.57 70.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -51.18 -41.1 59.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.521 ' CE1' ' HE2' ' A' ' 95' ' ' LYS . 12.8 t80 -52.52 -38.95 60.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' ' 119' ' ' ARG . 6.8 mp -64.85 -55.42 19.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.706 HD13 HD12 ' A' ' 130' ' ' LEU . 1.9 mm? -70.04 -11.53 60.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -58.48 149.36 25.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -89.81 -33.85 16.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.41 -36.92 64.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' ASN . . . . . 0.439 ' CG ' ' CE1' ' A' ' 121' ' ' PHE . 5.0 m120 -93.23 -44.54 8.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' GLY . . . . . 0.436 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . 69.24 44.19 67.22 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.524 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.578 HD13 ' HA ' ' A' ' 88' ' ' ASN . 1.9 mm? -64.6 -23.66 67.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.843 0.354 . . . . 0.0 110.94 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.706 HD12 HD13 ' A' ' 123' ' ' LEU . 1.7 mt -127.43 85.63 60.45 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.64 0.733 . . . . 0.0 110.876 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -22.71 31.7 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.675 2.25 . . . . 0.0 112.357 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -130.07 25.51 5.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 64.32 27.29 13.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -125.72 122.66 36.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 16.9 tp -88.44 114.18 24.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 95.2 m -96.18 95.22 7.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 7.4 mt -87.97 124.18 33.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' PHE . . . . . 0.466 ' CE1' ' HB2' ' A' ' 13' ' ' SER . 10.2 t80 -107.6 105.83 15.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 34.3 t -107.18 153.76 22.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -140.04 119.2 12.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 24.2 t -108.75 134.48 50.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.117 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.5 m -123.54 108.52 12.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.582 ' O ' HG23 ' A' ' 9' ' ' VAL . 59.4 t -84.62 128.23 39.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.15 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 144' ' ' VAL . 24.7 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.142 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 143' ' ' VAL . 7.4 p . . . . . 0 N--CA 1.458 -0.053 0 CA-C-O 120.906 0.384 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 68.6 t -88.55 100.82 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.127 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.53 155.48 26.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -153.68 140.8 19.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.479 ' HB2' ' CE1' ' A' ' 138' ' ' PHE . 97.0 p -109.8 130.14 55.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.832 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -123.85 121.86 36.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.933 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 38.5 ttm -92.7 119.63 32.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.924 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.605 ' CZ2' HD11 ' A' ' 18' ' ' ILE . 10.0 t90 -115.26 109.28 17.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 85.4 m -102.97 125.67 49.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.116 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.605 HD11 ' CZ2' ' A' ' 16' ' ' TRP . 32.2 mt -107.73 100.66 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -65.37 134.24 53.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 52.2 m-20 62.92 45.9 5.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.459 ' CZ ' ' HB3' ' A' ' 53' ' ' PRO . 69.7 t80 -47.38 -19.86 0.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.3 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 -179.79 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.857 0.36 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.608 HG23 ' ND2' ' A' ' 52' ' ' ASN . 12.3 p -126.2 162.1 30.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.091 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.532 ' N ' HG22 ' A' ' 31' ' ' VAL . 17.0 mt -109.81 117.56 54.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -100.08 108.59 20.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.556 ' HB3' ' CZ3' ' A' ' 16' ' ' TRP . 28.9 p -71.8 152.1 42.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 61.4 m -44.88 170.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.859 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.572 HG22 HG11 ' A' ' 71' ' ' VAL . 37.9 p -86.2 129.32 34.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.141 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -118.71 139.57 51.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.8 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.785 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 49.6 mmtt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.828 0.346 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.51 HD21 ' HZ2' ' A' ' 47' ' ' TRP . 32.4 tp -72.83 120.18 18.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 48.0 mmtt -116.03 160.57 20.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.51 ' HZ2' HD21 ' A' ' 45' ' ' LEU . 70.4 m95 -139.3 153.78 47.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.464 ' SG ' HD23 ' A' ' 69' ' ' LEU . 21.9 p -143.25 144.09 32.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.859 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 77.1 mt -100.62 136.38 40.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.403 ' HB3' HG21 ' A' ' 31' ' ' VAL . 18.8 mtp180 -107.87 102.66 11.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.853 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.595 HG22 ' HG ' ' A' ' 66' ' ' LEU . 88.2 t -104.28 140.33 22.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.608 ' ND2' HG23 ' A' ' 31' ' ' VAL . 39.5 m-80 -133.37 102.03 13.09 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.629 0.728 . . . . 0.0 110.881 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.485 ' HA ' HD23 ' A' ' 64' ' ' LEU . 53.8 Cg_endo -69.79 -32.87 17.61 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.707 2.271 . . . . 0.0 112.302 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.1 tttp -89.97 -14.37 34.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 86.27 162.09 36.38 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.486 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 31.2 mt -81.23 -54.95 5.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.85 0.357 . . . . 0.0 110.929 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -129.25 177.87 6.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -59.39 -12.91 6.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -74.15 -45.24 49.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 89.2 p -120.02 43.43 2.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.834 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.3 ptmm? -87.18 -33.51 19.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -82.15 -29.24 31.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.498 ' CE1' ' HG2' ' A' ' 118' ' ' ARG . 21.1 m-85 -97.67 166.84 11.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.969 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.549 HD22 ' O ' ' A' ' 52' ' ' ASN . 3.1 tm? -92.94 122.86 35.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.3 t -100.47 123.88 45.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.595 ' HG ' HG22 ' A' ' 51' ' ' VAL . 6.3 tt -135.18 113.69 11.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -114.6 168.19 10.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.759 HD23 ' CZ ' ' A' ' 105' ' ' PHE . 49.3 tp -110.09 100.13 9.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.901 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.783 HD12 ' O ' ' A' ' 109' ' ' LYS . 11.5 tp -90.29 141.29 28.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.809 HD23 ' C ' ' A' ' 106' ' ' VAL . 55.4 tp -93.91 87.6 5.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.572 HG11 HG22 ' A' ' 36' ' ' THR . 0.2 OUTLIER -42.83 -63.25 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.097 179.878 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.564 ' H ' HG13 ' A' ' 71' ' ' VAL . 3.3 m -146.41 147.7 31.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.823 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.704 ' HB3' HD21 ' A' ' 70' ' ' LEU . 28.8 p -137.8 143.05 38.62 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.606 0.717 . . . . 0.0 110.874 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.448 ' HD2' HD13 ' A' ' 45' ' ' LEU . 53.4 Cg_endo -69.79 -43.51 2.59 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.684 2.256 . . . . 0.0 112.315 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.9 pttm -101.49 162.11 13.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.921 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 72.1 m -41.41 -64.15 0.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.407 ' CB ' HG12 ' A' ' 106' ' ' VAL . 9.1 pt-20 -130.03 153.2 48.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.7 p -139.97 136.42 38.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.167 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 23.0 mtt-85 -104.18 133.94 48.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -160.64 160.09 31.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.09 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.443 ' HG3' ' HB2' ' A' ' 102' ' ' ALA . 34.8 mttm -103.09 155.55 18.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.578 ' HB3' HD22 ' A' ' 68' ' ' LEU . 23.9 p90 -139.53 155.63 47.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.824 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.8 tmmm? -147.99 116.75 6.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -97.95 138.19 35.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 77.4 p -149.27 162.32 40.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.83 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.494 HD11 HG21 ' A' ' 117' ' ' ILE . 30.8 mt -120.93 133.28 68.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.101 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.0 mt -96.86 106.01 18.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.652 ' ND2' ' H ' ' A' ' 92' ' ' GLU . 0.4 OUTLIER -57.66 -174.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.2 -31.39 61.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.88 9.53 9.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 62.58 20.85 61.98 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.652 ' H ' ' ND2' ' A' ' 88' ' ' ASN . 5.4 mm-40 -101.69 142.71 32.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.785 0.326 . . . . 0.0 110.908 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -58.57 137.88 57.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.1 t -157.44 136.11 11.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 47.0 mmtt 61.88 46.55 6.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -91.95 168.49 11.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.636 ' CE ' ' CG ' ' A' ' 113' ' ' PHE . 12.1 mtm -140.87 117.68 11.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -88.72 161.7 16.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 30.3 t -109.08 137.52 46.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.833 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -67.74 -63.19 1.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.923 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 13.2 ttp180 -130.52 160.22 34.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.443 ' HB2' ' HG3' ' A' ' 81' ' ' LYS . . . -70.25 168.85 14.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.089 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -130.12 173.74 10.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.934 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 -86.72 97.6 10.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.759 ' CZ ' HD23 ' A' ' 68' ' ' LEU . 38.7 m-85 -91.35 118.17 30.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.809 ' C ' HD23 ' A' ' 70' ' ' LEU . 15.1 m -127.65 166.6 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.133 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -51.95 118.1 3.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 80.5 20.8 65.65 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.497 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.783 ' O ' HD12 ' A' ' 69' ' ' LEU . 22.7 tptt -102.14 163.57 12.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.792 0.329 . . . . 0.0 110.919 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.427 ' OD1' ' C ' ' A' ' 68' ' ' LEU . 6.6 t0 -148.46 136.12 20.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.572 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 96.9 m95 -150.81 124.57 9.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.558 ' HA2' ' CZ ' ' A' ' 82' ' ' PHE . . . -176.7 -127.69 1.06 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.636 ' CG ' ' CE ' ' A' ' 97' ' ' MET . 66.5 m-85 -132.07 146.45 52.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.923 0.392 . . . . 0.0 110.914 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 8.7 tttp -76.52 -59.58 2.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -103.33 102.62 12.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -78.88 -54.16 6.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.494 HG21 HD11 ' A' ' 86' ' ' ILE . 2.1 tt -168.76 145.25 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.094 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.498 ' HG2' ' CE1' ' A' ' 63' ' ' TYR . 15.4 mtt180 -49.87 118.97 3.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.446 ' HE ' HD11 ' A' ' 123' ' ' LEU . 17.0 ttp180 -52.54 -42.49 64.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -53.67 -42.75 68.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.593 ' CZ ' ' OD1' ' A' ' 127' ' ' ASN . 13.7 t80 -53.19 -42.65 66.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.572 ' HA ' HD12 ' A' ' 129' ' ' LEU . 7.8 mp -59.52 -62.41 1.9 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.928 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.446 HD11 ' HE ' ' A' ' 119' ' ' ARG . 4.5 mt -59.41 -30.37 68.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -49.52 150.52 1.91 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -93.81 -35.41 12.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -42.79 -43.19 3.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' ASN . . . . . 0.593 ' OD1' ' CZ ' ' A' ' 121' ' ' PHE . 8.1 m-20 -84.25 -40.58 17.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 69.66 38.55 77.82 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.466 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.572 HD12 ' HA ' ' A' ' 122' ' ' LEU . 50.3 mt -70.37 -24.09 62.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.81 0.338 . . . . 0.0 110.905 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.6 mt -126.0 82.93 64.01 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.611 0.72 . . . . 0.0 110.905 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -35.12 13.18 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.692 2.261 . . . . 0.0 112.309 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -112.2 25.06 11.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 61.04 35.87 18.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt -133.9 130.16 37.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.88 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 46.4 tp -93.68 112.56 24.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 76.1 m -92.5 95.53 9.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.414 HD22 ' CD1' ' A' ' 66' ' ' LEU . 17.9 mt -88.78 116.81 27.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.914 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 138' ' ' PHE . . . . . 0.479 ' CE1' ' HB2' ' A' ' 13' ' ' SER . 8.3 t80 -103.46 111.25 23.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 16.6 t -113.7 147.7 37.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.845 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -133.3 114.99 14.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.859 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 48.2 t -103.61 139.17 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 19.9 m -131.99 107.65 8.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.467 ' O ' HG23 ' A' ' 9' ' ' VAL . 64.6 t -84.14 130.64 35.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.111 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 25.6 m . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.14 179.945 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 143' ' ' VAL . 7.3 p . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.839 0.352 . . . . 0.0 111.108 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 84.0 t -97.44 107.25 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.172 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.25 156.06 28.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 12.8 p90 -141.28 146.18 36.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 89.6 p -114.19 125.99 54.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -118.07 115.31 24.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 36.6 ttm -88.14 114.33 24.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.55 ' CZ2' HD11 ' A' ' 18' ' ' ILE . 7.5 t90 -108.04 99.7 9.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 41.2 m -97.35 120.29 37.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.134 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.55 HD11 ' CZ2' ' A' ' 16' ' ' TRP . 34.3 mt -102.92 99.99 9.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.37 135.63 57.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.477 ' N ' ' O ' ' A' ' 133' ' ' ASP . 46.3 t-20 57.21 51.66 9.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -57.11 -11.91 1.87 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.3 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.824 -179.762 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.862 0.363 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.616 HG21 ' HB3' ' A' ' 50' ' ' ARG . 12.8 p -153.67 150.77 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 68.2 mt -92.52 103.43 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.148 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? -87.12 109.87 19.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 84.1 p -72.02 156.79 38.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.2 t -52.86 -174.83 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 43.6 p -98.65 127.19 44.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.188 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -124.95 151.03 45.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 99.4 p . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.791 -179.744 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.856 0.36 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.743 HD21 ' HZ2' ' A' ' 47' ' ' TRP . 44.0 tp -74.15 125.68 28.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -121.23 168.88 11.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.743 ' HZ2' HD21 ' A' ' 45' ' ' LEU . 49.8 m95 -149.41 147.46 28.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.938 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.5 p -137.59 153.51 49.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.52 HD22 HD21 ' A' ' 66' ' ' LEU . 29.5 mt -110.78 135.95 50.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.616 ' HB3' HG21 ' A' ' 31' ' ' VAL . 35.7 mtp180 -111.23 106.43 15.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.839 HG13 HD11 ' A' ' 64' ' ' LEU . 74.0 t -108.01 131.29 58.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.574 ' O ' HD22 ' A' ' 64' ' ' LEU . 0.5 OUTLIER -119.95 101.8 47.3 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.582 0.706 . . . . 0.0 110.906 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.488 ' HA ' ' CD2' ' A' ' 64' ' ' LEU . 53.5 Cg_endo -69.8 -28.84 24.57 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.713 2.275 . . . . 0.0 112.304 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.3 tttm -96.94 -11.35 24.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.885 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.93 160.34 20.77 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.484 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 85.0 mt -72.91 -54.81 7.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.843 0.354 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -126.77 166.35 17.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -53.66 -15.14 1.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -68.48 -42.34 78.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 51.4 p -124.53 51.15 1.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.854 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.3 ptmt -94.04 -34.12 13.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 62' ' ' ASP . 18.4 p-10 -74.18 -22.12 59.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.851 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.597 ' CD2' ' HG2' ' A' ' 115' ' ' LYS . 14.3 m-85 -105.95 170.43 7.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.839 HD11 HG13 ' A' ' 51' ' ' VAL . 2.7 tm? -96.7 125.9 41.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.919 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.429 ' N ' HD13 ' A' ' 64' ' ' LEU . 1.1 t -102.55 110.64 22.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.724 ' HG ' HG22 ' A' ' 51' ' ' VAL . 5.8 tt -119.73 115.77 24.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -121.5 147.59 45.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.817 HD22 ' HB3' ' A' ' 82' ' ' PHE . 15.9 tp -97.36 114.61 26.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.954 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.68 HD12 ' O ' ' A' ' 109' ' ' LYS . 6.9 tp -107.35 147.95 29.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.956 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.864 HD21 ' HB3' ' A' ' 73' ' ' CYS . 35.7 tp -96.37 88.75 4.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.569 HG13 ' H ' ' A' ' 72' ' ' SER . 0.2 OUTLIER -41.45 -65.65 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.835 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.569 ' H ' HG13 ' A' ' 71' ' ' VAL . 4.4 m -143.21 144.75 32.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.864 ' HB3' HD21 ' A' ' 70' ' ' LEU . 27.1 p -134.96 143.45 46.19 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.645 0.736 . . . . 0.0 110.851 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.497 ' HD2' HD13 ' A' ' 45' ' ' LEU . 53.8 Cg_endo -69.77 -49.51 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.642 2.228 . . . . 0.0 112.362 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.2 pttm -93.29 164.39 13.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.868 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.7 t -45.89 -61.69 1.63 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -128.32 158.44 38.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.5 p -143.24 140.28 26.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.138 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.533 ' O ' HG22 ' A' ' 144' ' ' VAL . 35.4 mtp180 -106.35 130.3 54.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -161.44 153.35 19.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.05 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.485 ' CD ' ' HB2' ' A' ' 102' ' ' ALA . 0.8 OUTLIER -107.41 136.96 46.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.817 ' HB3' HD22 ' A' ' 68' ' ' LEU . 31.5 p90 -115.95 159.43 21.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.403 ' C ' ' HD2' ' A' ' 83' ' ' LYS . 1.4 tmmt? -147.66 116.43 6.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -97.92 128.59 44.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.433 ' CB ' ' HB2' ' A' ' 96' ' ' ALA . 85.0 p -141.7 167.52 21.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.406 HD11 ' CE2' ' A' ' 116' ' ' PHE . 19.9 mt -126.03 133.45 68.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.0 mt -97.81 101.22 12.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.972 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.598 ' ND2' ' H ' ' A' ' 92' ' ' GLU . 0.3 OUTLIER -58.97 -175.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.48 -26.24 41.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.424 ' CB ' ' HG3' ' A' ' 92' ' ' GLU . 7.1 mptt -88.05 12.31 13.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.43 24.92 47.89 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.5 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.598 ' H ' ' ND2' ' A' ' 88' ' ' ASN . 6.5 mt-10 -105.97 140.47 38.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.841 0.353 . . . . 0.0 110.879 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -58.62 131.24 50.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.7 t -145.29 146.38 31.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.143 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.455 ' HE3' ' CE2' ' A' ' 121' ' ' PHE . 29.4 mmtt 48.98 47.56 21.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.433 ' HB2' ' CB ' ' A' ' 85' ' ' SER . . . -94.26 154.77 17.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.064 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.63 ' HE2' ' CD2' ' A' ' 113' ' ' PHE . 5.0 ptp -122.43 120.51 34.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -98.35 166.43 11.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 40.9 t -118.08 155.88 29.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.817 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -78.32 -59.39 2.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.937 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 78.4 mtt180 -131.62 -175.75 3.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.485 ' HB2' ' CD ' ' A' ' 81' ' ' LYS . . . -93.41 145.02 24.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.08 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -106.55 173.99 6.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -84.72 110.58 18.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.449 ' CZ ' HD23 ' A' ' 68' ' ' LEU . 25.0 m-85 -102.51 117.23 34.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.439 HG22 ' HB2' ' A' ' 109' ' ' LYS . 16.9 m -124.65 147.66 29.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -42.2 99.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 108.23 19.8 8.7 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.541 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.68 ' O ' HD12 ' A' ' 69' ' ' LEU . 14.6 tptt -104.69 143.19 33.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.799 0.333 . . . . 0.0 110.936 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -128.39 124.11 35.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.854 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 66.3 m95 -137.16 135.33 37.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.959 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 169.72 -153.69 22.14 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.428 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.63 ' CD2' ' HE2' ' A' ' 97' ' ' MET . 2.3 m-85 -114.11 153.08 30.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.93 0.395 . . . . 0.0 110.849 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 27.4 tttp -83.71 -55.84 4.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.91 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.597 ' HG2' ' CD2' ' A' ' 63' ' ' TYR . 2.6 mptt -101.48 95.16 6.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.406 ' CE2' HD11 ' A' ' 86' ' ' ILE . 11.0 t80 -79.99 -47.15 15.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.706 HD11 ' CD2' ' A' ' 121' ' ' PHE . 3.2 tt -174.62 145.26 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.109 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.538 ' HG2' ' CD1' ' A' ' 63' ' ' TYR . 15.9 mtt85 -57.32 120.13 7.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 10.2 ttp180 -49.23 -40.16 32.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -61.98 -39.56 92.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.743 ' CZ ' ' ND2' ' A' ' 127' ' ' ASN . 37.1 t80 -59.03 -24.0 62.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.441 HD21 ' CG2' ' A' ' 117' ' ' ILE . 10.6 mt -77.42 -61.7 1.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.802 HD13 HD12 ' A' ' 130' ' ' LEU . 3.1 mm? -59.86 -27.27 66.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -54.01 127.36 26.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -69.32 -36.53 77.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -43.99 -35.49 2.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.132 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' ASN . . . . . 0.743 ' ND2' ' CZ ' ' A' ' 121' ' ' PHE . 1.7 m120 -90.98 -30.81 16.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 69.46 3.16 38.54 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.45 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.646 ' O ' HD23 ' A' ' 130' ' ' LEU . 0.8 OUTLIER -41.05 -28.2 0.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.818 0.342 . . . . 0.0 110.942 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.802 HD12 HD13 ' A' ' 123' ' ' LEU . 6.0 mt -128.96 84.5 62.89 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.621 0.724 . . . . 0.0 110.94 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -31.15 21.15 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.684 2.256 . . . . 0.0 112.362 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -120.92 24.82 10.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' ' 20' ' ' ASN . 7.6 m-20 65.22 31.78 10.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -126.42 129.46 48.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 50.0 tp -92.8 96.32 10.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 85.9 m -75.81 95.31 3.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.404 HD13 HD11 ' A' ' 66' ' ' LEU . 15.2 mt -90.18 112.22 23.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.896 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -100.89 104.94 16.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 29.9 t -107.36 144.99 33.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -131.12 124.52 30.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 40.9 t -112.66 136.18 49.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.105 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -121.95 111.29 16.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.567 ' O ' HG23 ' A' ' 9' ' ' VAL . 67.7 t -85.84 120.21 35.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.195 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.74 HG23 ' O ' ' A' ' 144' ' ' VAL . 28.7 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.162 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 143' ' ' VAL . 7.1 p . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.832 0.349 . . . . 0.0 111.134 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 79.6 t -99.24 110.51 26.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.122 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.39 158.12 25.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.923 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -145.78 149.82 35.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.515 ' HB2' ' CZ ' ' A' ' 138' ' ' PHE . 81.0 p -110.01 137.54 47.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -132.36 117.39 18.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 36.4 ttm -89.01 113.0 24.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.468 ' CZ2' HD11 ' A' ' 18' ' ' ILE . 9.7 t90 -105.5 99.93 9.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.7 m -91.58 110.87 22.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.196 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.468 HD11 ' CZ2' ' A' ' 16' ' ' TRP . 23.8 mt -94.67 99.84 10.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.16 136.59 50.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 24.8 m-20 61.67 46.71 6.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.635 ' HZ ' HD12 ' A' ' 64' ' ' LEU . 73.0 t80 -61.24 -18.73 59.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 60.0 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.788 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.851 0.358 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.657 HG23 ' CG ' ' A' ' 52' ' ' ASN . 5.2 p -141.42 162.89 21.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.422 ' N ' HG22 ' A' ' 31' ' ' VAL . 64.7 mt -114.23 116.6 53.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.151 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.3 mttt -96.85 131.22 43.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 95.8 p -94.67 -178.37 4.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 m -69.93 173.69 6.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.858 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 72.3 p -97.84 125.73 42.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.105 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.421 ' CD1' ' N ' ' A' ' 37' ' ' PHE . 3.1 p90 -122.21 145.8 47.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.851 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.479 ' HB3' ' CE ' ' A' ' 46' ' ' LYS . 61.0 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 41.5 mmtt . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.812 0.339 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.654 HD21 ' CZ2' ' A' ' 47' ' ' TRP . 44.1 tp -54.41 123.74 13.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.479 ' CE ' ' HB3' ' A' ' 38' ' ' SER . 3.5 mmpt? -111.15 167.99 9.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.887 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.654 ' CZ2' HD21 ' A' ' 45' ' ' LEU . 73.9 m95 -147.6 148.83 31.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 24.4 t -143.79 151.74 40.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.481 HD22 HD21 ' A' ' 66' ' ' LEU . 81.2 mt -109.09 142.98 39.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.559 ' HB3' HG21 ' A' ' 31' ' ' VAL . 46.5 mtp180 -118.01 104.73 11.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.654 HG22 ' HG ' ' A' ' 66' ' ' LEU . 50.2 t -103.91 145.05 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.123 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.657 ' CG ' HG23 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -134.99 102.09 11.19 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.663 0.744 . . . . 0.0 110.831 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 52' ' ' ASN . 53.4 Cg_endo -69.82 -4.91 15.03 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.716 2.278 . . . . 0.0 112.341 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.0 tttt -130.36 0.8 4.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 70.06 -167.68 48.55 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.505 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.632 HD22 ' N ' ' A' ' 56' ' ' LEU . 1.9 mm? -97.01 -43.56 7.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.794 0.33 . . . . 0.0 110.94 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.49 ' CG ' ' N ' ' A' ' 58' ' ' GLU . 13.8 t70 -133.51 171.78 13.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.49 ' N ' ' CG ' ' A' ' 57' ' ' ASP . 10.8 mp0 -52.03 -24.42 6.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -53.91 -60.61 3.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.886 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 18.8 t -105.29 50.44 0.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -87.4 -32.48 19.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -72.08 -43.69 64.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.434 ' CD1' ' HG2' ' A' ' 115' ' ' LYS . 0.2 OUTLIER -93.33 167.13 11.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.827 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.635 HD12 ' HZ ' ' A' ' 21' ' ' PHE . 9.1 tt -94.76 149.46 21.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.914 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.471 ' N ' HD23 ' A' ' 64' ' ' LEU . 1.8 t -116.65 125.55 51.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.807 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.654 ' HG ' HG22 ' A' ' 51' ' ' VAL . 5.1 tt -129.87 114.6 16.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -119.43 144.47 46.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.745 HD22 ' HB3' ' A' ' 82' ' ' PHE . 16.8 tp -94.13 106.34 18.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.923 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.678 HD12 ' O ' ' A' ' 109' ' ' LYS . 7.1 tp -99.21 145.4 27.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.845 HD21 ' HB3' ' A' ' 73' ' ' CYS . 47.5 tp -93.73 84.09 4.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.549 HG13 ' H ' ' A' ' 72' ' ' SER . 0.2 OUTLIER -35.26 -65.66 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 179.895 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.549 ' H ' HG13 ' A' ' 71' ' ' VAL . 8.7 m -145.85 145.68 30.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.845 ' HB3' HD21 ' A' ' 70' ' ' LEU . 30.4 p -139.16 140.9 27.82 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.592 0.711 . . . . 0.0 110.926 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -47.97 0.83 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.662 2.241 . . . . 0.0 112.389 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.6 pttt -90.91 157.25 17.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 70.8 m -43.17 -66.69 0.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -120.78 159.72 24.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.864 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.5 p -150.5 134.95 9.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.155 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.653 ' O ' HG22 ' A' ' 144' ' ' VAL . 40.7 mtt180 -104.27 135.96 44.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.868 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -160.66 156.22 25.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.174 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.413 ' HG3' ' HB2' ' A' ' 102' ' ' ALA . 36.4 mttm -103.92 138.73 40.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.745 ' HB3' HD22 ' A' ' 68' ' ' LEU . 51.8 p90 -124.83 154.52 40.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.0 tmmm? -147.86 120.31 8.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -98.11 141.96 30.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.58 ' HB2' ' HB2' ' A' ' 96' ' ' ALA . 18.0 p -156.37 145.68 20.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.549 HD11 HG21 ' A' ' 117' ' ' ILE . 47.6 mt -106.12 123.92 61.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.112 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.0 mt -88.55 115.34 26.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.445 ' C ' ' OD1' ' A' ' 88' ' ' ASN . 37.4 p30 -65.75 -176.67 0.39 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -52.73 -36.82 58.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.108 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.465 ' HD2' ' N ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -85.09 17.28 3.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 57.76 27.91 59.65 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.494 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -99.91 134.24 43.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.817 0.342 . . . . 0.0 110.866 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -58.35 133.75 55.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.459 HG22 ' O ' ' A' ' 86' ' ' ILE . 4.0 t -155.37 141.37 18.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.126 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.43 ' HB3' HD12 ' A' ' 117' ' ' ILE . 20.1 mmmt 59.75 40.16 19.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.58 ' HB2' ' HB2' ' A' ' 85' ' ' SER . . . -91.66 162.22 14.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.048 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.457 ' HE3' ' CD1' ' A' ' 113' ' ' PHE . 23.5 mtm -139.91 140.86 36.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -115.2 162.76 16.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.5 t -103.01 147.4 26.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -59.44 -42.67 92.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 46.5 ptt85 -162.85 174.56 12.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.413 ' HB2' ' HG3' ' A' ' 81' ' ' LYS . . . -68.62 153.86 42.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.083 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -123.07 170.85 9.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 48.3 ttt-85 -89.69 108.86 19.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.47 ' CZ ' HD23 ' A' ' 68' ' ' LEU . 63.1 m-85 -98.62 150.15 22.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.87 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.508 HG22 ' HB2' ' A' ' 109' ' ' LYS . 13.2 m -152.65 148.25 14.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.136 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -39.19 97.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.945 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 106' ' ' VAL . . . 105.29 22.28 8.32 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.483 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.678 ' O ' HD12 ' A' ' 69' ' ' LEU . 11.4 tptt -101.88 142.12 33.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.819 0.343 . . . . 0.0 110.866 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -128.27 123.37 33.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.871 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 77.4 m95 -134.23 131.89 39.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 171.69 -152.89 18.71 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.457 ' CD1' ' HE3' ' A' ' 97' ' ' MET . 15.4 m-85 -123.82 144.89 49.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.92 0.39 . . . . 0.0 110.869 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 24.4 tttp -72.14 -56.25 5.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.936 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.434 ' HG2' ' CD1' ' A' ' 63' ' ' TYR . 16.9 mttp -98.28 94.54 6.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.677 ' CD2' HG22 ' A' ' 117' ' ' ILE . 14.4 t80 -80.95 -56.09 4.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.677 HG22 ' CD2' ' A' ' 116' ' ' PHE . 3.0 tt -161.62 147.4 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.099 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.431 ' HG2' ' CD2' ' A' ' 63' ' ' TYR . 16.3 mtt180 -57.75 118.44 5.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 16.2 ttp180 -51.52 -32.77 29.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -63.0 -38.39 90.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.531 ' CZ ' ' OD1' ' A' ' 127' ' ' ASN . 6.1 t80 -58.63 -36.44 74.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.784 ' HA ' HD12 ' A' ' 129' ' ' LEU . 6.5 mp -69.11 -54.44 14.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.928 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.3 mt -67.73 -22.05 65.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.474 ' OD2' ' HB3' ' A' ' 126' ' ' ALA . 19.4 t70 -54.98 158.95 2.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -99.76 -32.73 10.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.474 ' HB3' ' OD2' ' A' ' 124' ' ' ASP . . . -52.25 -31.9 34.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' ASN . . . . . 0.531 ' OD1' ' CZ ' ' A' ' 121' ' ' PHE . 41.0 m-20 -94.16 -32.78 13.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 58.03 42.08 94.8 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.518 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.784 HD12 ' HA ' ' A' ' 122' ' ' LEU . 69.6 mt -73.58 -20.01 60.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.848 0.356 . . . . 0.0 110.957 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.74 HD23 ' O ' ' A' ' 129' ' ' LEU . 1.9 mt -130.12 81.08 69.59 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.616 0.722 . . . . 0.0 110.923 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -21.4 33.24 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.656 2.238 . . . . 0.0 112.337 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -129.62 26.59 5.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 64.69 25.35 13.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 2.6 ptpt -123.48 132.86 54.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 15.1 tp -97.52 114.18 26.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 93.2 m -90.68 95.83 10.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.206 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 10.5 mt -93.6 113.57 25.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' PHE . . . . . 0.515 ' CZ ' ' HB2' ' A' ' 13' ' ' SER . 17.2 t80 -99.5 105.89 17.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 29.6 t -106.95 146.09 31.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -130.32 114.3 15.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 20.3 t -103.72 133.88 46.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 11.1 m -120.81 111.96 18.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.822 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.493 ' O ' HG23 ' A' ' 9' ' ' VAL . 97.4 t -86.27 127.17 40.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.104 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' ' 144' ' ' VAL . 25.4 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.127 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.8 p . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.8 0.333 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 90.2 t -88.13 103.72 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.16 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.16 155.39 30.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -141.05 145.8 36.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.574 ' HB2' ' CZ ' ' A' ' 138' ' ' PHE . 85.3 p -107.84 126.6 52.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.552 ' CD1' ' HB3' ' A' ' 37' ' ' PHE . 87.9 t80 -118.44 109.65 16.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 28.1 ttm -89.81 121.04 31.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.474 ' CZ2' HD11 ' A' ' 18' ' ' ILE . 9.5 t90 -120.19 105.89 11.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 97.3 m -94.02 129.09 40.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.086 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.474 HD11 ' CZ2' ' A' ' 16' ' ' TRP . 44.6 mt -111.74 98.46 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.22 138.34 57.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.4 ' OD1' ' N ' ' A' ' 20' ' ' ASN . 0.9 OUTLIER 60.05 49.19 7.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.852 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 53' ' ' PRO . 66.8 t80 -57.18 -25.56 59.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.848 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.0 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.755 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.48 ' O ' ' ND2' ' A' ' 52' ' ' ASN . 12.6 mp0 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.846 0.355 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.529 HG21 ' HB3' ' A' ' 50' ' ' ARG . 14.4 p -117.34 144.39 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.083 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 18.5 mt -88.85 105.79 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.8 mtmm -88.84 115.3 26.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 57.3 p -74.76 -177.67 3.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.3 p -73.39 170.6 14.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.797 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 70.6 p -87.64 130.13 34.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.156 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.552 ' HB3' ' CD1' ' A' ' 14' ' ' TYR . 6.5 p90 -119.74 155.52 32.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.919 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 56.3 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.797 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.8 mmtp . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.838 0.351 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.486 HD22 ' NE1' ' A' ' 47' ' ' TRP . 2.1 tt -66.02 127.31 31.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.55 ' C ' ' CG1' ' A' ' 71' ' ' VAL . 37.8 mmtm -117.63 156.38 28.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.494 ' HA ' HG12 ' A' ' 71' ' ' VAL . 70.2 m95 -132.02 151.02 51.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.479 ' SG ' HD23 ' A' ' 69' ' ' LEU . 14.5 p -138.88 154.64 48.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.848 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.483 HD23 HD22 ' A' ' 68' ' ' LEU . 12.4 mt -114.69 132.64 56.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.968 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.529 ' HB3' HG21 ' A' ' 31' ' ' VAL . 23.3 mtp180 -109.09 104.69 13.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.835 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.816 HG22 HD13 ' A' ' 66' ' ' LEU . 94.3 t -112.91 136.29 49.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.601 ' O ' HD22 ' A' ' 64' ' ' LEU . 5.2 t-20 -131.17 101.85 16.1 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.606 0.717 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.57 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 53.7 Cg_endo -69.74 -2.21 9.77 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.676 2.251 . . . . 0.0 112.363 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.0 tttt -124.07 6.96 8.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 61.47 -165.94 16.75 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.492 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 18.4 mt -112.57 -44.26 3.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.813 0.34 . . . . 0.0 110.89 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 0.2 OUTLIER -121.15 153.25 37.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.861 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -48.27 -20.6 0.4 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -68.75 -64.22 0.91 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.418 ' CB ' ' HD3' ' A' ' 115' ' ' LYS . 79.7 p -89.81 32.82 0.87 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.478 ' CG ' ' N ' ' A' ' 62' ' ' ASP . 10.1 ptmt -78.57 -46.64 18.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.478 ' N ' ' CG ' ' A' ' 61' ' ' LYS . 29.1 m-20 -63.66 -20.18 65.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.574 ' CE2' ' HG3' ' A' ' 118' ' ' ARG . 75.2 m-85 -105.45 160.69 14.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.614 HD13 ' N ' ' A' ' 65' ' ' SER . 2.8 tm? -89.68 125.59 35.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.614 ' N ' HD13 ' A' ' 64' ' ' LEU . 32.4 t -98.43 112.31 24.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.816 HD13 HG22 ' A' ' 51' ' ' VAL . 23.1 tp -123.96 123.02 39.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.924 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -127.37 149.32 50.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.483 HD22 HD23 ' A' ' 49' ' ' LEU . 0.7 OUTLIER -95.46 109.07 21.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.914 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.951 HD12 ' O ' ' A' ' 109' ' ' LYS . 7.0 tp -102.3 143.16 32.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.71 HD21 ' HB3' ' A' ' 73' ' ' CYS . 40.5 tp -92.95 82.71 4.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.65 HG13 ' H ' ' A' ' 72' ' ' SER . 1.3 p -34.03 -59.86 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.144 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.65 ' H ' HG13 ' A' ' 71' ' ' VAL . 45.4 t -152.37 156.88 40.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.71 ' HB3' HD21 ' A' ' 70' ' ' LEU . 28.7 p -148.13 142.68 16.72 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.584 0.707 . . . . 0.0 110.911 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -51.11 0.4 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.638 2.225 . . . . 0.0 112.375 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.0 pttm -90.6 167.93 12.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.3 t -45.28 -62.41 1.27 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.479 ' CB ' HG12 ' A' ' 106' ' ' VAL . 5.0 pt-20 -132.33 160.52 36.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.5 p -139.12 150.36 23.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.137 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.624 ' O ' HG22 ' A' ' 144' ' ' VAL . 20.6 mtt180 -114.77 127.68 55.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -153.88 161.38 42.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.681 ' HG3' ' HB2' ' A' ' 102' ' ' ALA . 61.6 mttt -109.93 121.92 46.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 22.4 p90 -106.32 148.82 27.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.404 ' C ' ' HD2' ' A' ' 83' ' ' LYS . 1.1 tmmt? -141.08 124.66 16.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -101.63 133.81 45.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 60.7 p -147.63 166.44 27.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.454 HD11 HG21 ' A' ' 117' ' ' ILE . 19.1 mt -129.33 132.02 67.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.9 mt -94.59 110.97 22.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.935 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.618 ' ND2' ' H ' ' A' ' 92' ' ' GLU . 0.6 OUTLIER -65.53 -174.93 0.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -52.66 -35.04 54.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.14 14.8 3.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.927 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.66 23.59 44.43 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.444 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.618 ' H ' ' ND2' ' A' ' 88' ' ' ASN . 24.3 mt-10 -101.27 139.05 37.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.809 0.338 . . . . 0.0 110.877 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -57.24 133.86 55.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.861 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.434 HG23 ' HG2' ' A' ' 95' ' ' LYS . 5.7 t -153.89 150.02 27.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.194 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.483 ' HE3' ' CE2' ' A' ' 121' ' ' PHE . 0.0 OUTLIER 49.94 49.94 19.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.868 179.903 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -102.17 158.29 16.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.462 ' CE ' ' CG ' ' A' ' 113' ' ' PHE . 19.0 mtm -130.75 132.76 45.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -106.67 170.29 8.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.8 m -115.36 160.83 19.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.843 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -76.28 -66.12 0.84 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 24.0 ttt-85 -136.75 140.92 42.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.825 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.681 ' HB2' ' HG3' ' A' ' 81' ' ' LYS . . . -43.2 146.95 0.39 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.065 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -108.21 160.02 16.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 18.2 ttt180 -74.47 98.84 3.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.493 ' CE1' ' HB2' ' A' ' 111' ' ' TRP . 13.5 m-85 -87.4 149.11 24.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.615 ' C ' HD23 ' A' ' 70' ' ' LEU . 11.4 m -151.59 164.58 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.108 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -53.29 119.43 4.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 80.31 18.12 72.29 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.537 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.951 ' O ' HD12 ' A' ' 69' ' ' LEU . 19.5 tptt -89.98 158.66 17.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.764 0.316 . . . . 0.0 110.886 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -144.35 123.52 12.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.493 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 77.8 m95 -134.62 124.78 25.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 179.37 -158.43 22.37 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.455 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.462 ' CG ' ' CE ' ' A' ' 97' ' ' MET . 2.9 m-85 -116.61 162.95 16.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.934 0.397 . . . . 0.0 110.865 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 25.4 tttt -88.98 -46.42 8.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.419 ' HD2' ' CD1' ' A' ' 63' ' ' TYR . 8.9 mmtm -110.11 92.73 4.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -79.42 -49.97 11.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.733 HD11 ' CD2' ' A' ' 121' ' ' PHE . 3.2 tt -171.59 147.46 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.574 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 21.0 mtm180 -59.15 112.94 1.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.456 ' HA ' HD13 ' A' ' 122' ' ' LEU . 15.5 ttp180 -45.79 -35.64 4.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.17 -35.57 80.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.733 ' CD2' HD11 ' A' ' 117' ' ' ILE . 49.8 t80 -61.15 -26.04 67.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.839 HD23 HD13 ' A' ' 135' ' ' LEU . 5.9 mp -75.64 -54.04 7.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.601 HD22 ' N ' ' A' ' 123' ' ' LEU . 1.9 mm? -82.64 21.45 0.99 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -87.99 158.16 18.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -93.22 -34.3 13.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.08 -43.43 70.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.086 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' ASN . . . . . 0.584 ' OD1' ' CZ ' ' A' ' 121' ' ' PHE . 12.7 m-80 -92.61 -47.53 7.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 74.43 42.9 32.52 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.526 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.629 HD23 ' O ' ' A' ' 121' ' ' PHE . 3.1 mm? -60.11 -25.77 65.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.9 0.381 . . . . 0.0 110.961 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.464 HD23 ' N ' ' A' ' 134' ' ' LYS . 5.8 mp -124.59 93.04 46.98 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.581 0.705 . . . . 0.0 110.919 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -21.9 32.9 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.67 2.247 . . . . 0.0 112.326 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -129.7 25.7 5.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.831 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 63.75 37.67 9.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.464 ' N ' HD23 ' A' ' 130' ' ' LEU . 3.8 ptpt -134.43 128.37 33.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.839 HD13 HD23 ' A' ' 122' ' ' LEU . 18.1 tp -88.23 115.19 25.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 73.4 m -99.47 96.94 8.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.137 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.453 ' CD1' HG21 ' A' ' 51' ' ' VAL . 8.1 mt -89.46 123.22 33.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 138' ' ' PHE . . . . . 0.574 ' CZ ' ' HB2' ' A' ' 13' ' ' SER . 19.3 t80 -108.98 105.91 15.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 139' ' ' CYS . . . . . 0.444 ' CB ' HD11 ' A' ' 49' ' ' LEU . 42.5 t -106.36 136.75 45.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -121.81 113.48 19.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 59.1 t -105.75 131.44 55.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 15.1 m -118.73 117.66 29.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.838 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 57.7 t -88.74 120.27 37.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.123 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.624 HG22 ' O ' ' A' ' 79' ' ' ARG . 34.7 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.129 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.499 HG22 ' HD2' ' A' ' 11' ' ' LYS . 2.4 p . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.892 0.377 . . . . 0.0 111.124 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 94.3 t -91.07 96.98 6.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.136 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.499 ' HD2' HG22 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -90.59 158.6 16.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.579 ' CE2' ' HB ' ' A' ' 141' ' ' VAL . 5.0 p90 -167.97 137.67 2.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.883 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.414 ' HB2' ' CE1' ' A' ' 138' ' ' PHE . 59.9 p -111.63 153.24 26.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.735 ' CD2' ' CD2' ' A' ' 37' ' ' PHE . 16.3 t80 -139.03 117.65 12.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.934 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 29.0 ttm -86.94 124.55 33.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.55 ' CZ2' HD11 ' A' ' 18' ' ' ILE . 11.3 t90 -123.47 103.14 8.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.519 HG22 ' HB3' ' A' ' 134' ' ' LYS . 7.4 m -94.06 117.77 30.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.55 HD11 ' CZ2' ' A' ' 16' ' ' TRP . 78.0 mt -97.4 102.46 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -66.92 134.06 51.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' A' ' 20' ' ' ASN . 0.8 OUTLIER 64.8 44.97 3.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.544 ' HZ ' HD12 ' A' ' 64' ' ' LEU . 85.1 t80 -55.46 -31.5 62.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 78.6 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.797 -179.775 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.913 0.387 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 51' ' ' VAL . 7.6 p -146.79 143.91 20.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.09 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 25.3 mt -89.6 100.54 11.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.183 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.1 mttt -84.64 121.03 27.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 77.3 p -76.92 170.12 17.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.2 m -66.12 173.71 2.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.844 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 43.0 p -87.94 125.4 34.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.165 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.735 ' CD2' ' CD2' ' A' ' 14' ' ' TYR . 45.4 p90 -122.52 142.11 50.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.85 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.3 p . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.839 -179.797 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.2 mmtt . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.792 0.33 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.538 ' C ' HD12 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -70.65 104.66 2.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.906 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.504 ' N ' HD12 ' A' ' 45' ' ' LEU . 51.0 mmtt -105.9 170.32 7.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 59.6 m95 -144.73 152.93 41.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.93 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.6 p -144.13 153.66 42.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.661 HD21 ' SG ' ' A' ' 139' ' ' CYS . 90.8 mt -110.25 137.25 48.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 49.6 mtp180 -112.11 103.6 11.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.835 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.822 HG13 HD21 ' A' ' 64' ' ' LEU . 76.5 t -106.57 144.24 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.151 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.531 ' ND2' ' N ' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -134.47 102.35 11.69 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.665 0.745 . . . . 0.0 110.858 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 52' ' ' ASN . 53.5 Cg_endo -69.79 -44.03 2.3 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.671 2.248 . . . . 0.0 112.31 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 30.0 tttp -80.15 -3.33 48.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 68.42 150.79 0.3 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.424 HD22 ' N ' ' A' ' 56' ' ' LEU . 3.5 mm? -61.7 -55.87 25.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.83 0.348 . . . . 0.0 110.91 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.488 ' CG ' ' N ' ' A' ' 58' ' ' GLU . 14.6 t70 -136.09 171.54 14.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.488 ' N ' ' CG ' ' A' ' 57' ' ' ASP . 16.7 mp0 -52.44 -19.85 2.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -58.14 -46.05 86.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.5 p -124.09 50.41 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.7 ptmm? -84.89 -29.92 24.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -66.62 -56.88 8.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.548 ' CD2' ' HG2' ' A' ' 118' ' ' ARG . 0.3 OUTLIER -89.09 177.3 6.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.969 -179.879 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.822 HD21 HG13 ' A' ' 51' ' ' VAL . 9.1 tt -96.51 156.23 16.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.562 ' N ' HD23 ' A' ' 64' ' ' LEU . 7.4 t -117.36 114.5 23.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.825 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.631 ' HG ' HG22 ' A' ' 51' ' ' VAL . 6.0 tt -127.08 114.18 17.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.946 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -119.45 148.67 42.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.586 ' C ' HD13 ' A' ' 68' ' ' LEU . 2.0 tm? -92.36 107.18 19.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.919 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.629 HD12 ' O ' ' A' ' 109' ' ' LYS . 6.7 tp -102.32 152.69 20.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.923 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.767 HD21 ' HB3' ' A' ' 73' ' ' CYS . 15.8 tp -102.26 94.44 5.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.579 HG13 ' H ' ' A' ' 72' ' ' SER . 0.2 OUTLIER -47.54 -66.81 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 179.844 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.579 ' H ' HG13 ' A' ' 71' ' ' VAL . 22.9 t -143.36 143.63 31.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.892 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.767 ' HB3' HD21 ' A' ' 70' ' ' LEU . 31.4 p -136.1 142.67 40.97 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.584 0.707 . . . . 0.0 110.936 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -43.98 2.33 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.689 2.26 . . . . 0.0 112.334 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.3 pttm -97.8 159.01 15.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 t -45.81 -61.25 1.8 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.822 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -123.26 159.35 28.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.5 p -149.65 140.44 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.7 ' O ' HG22 ' A' ' 144' ' ' VAL . 5.7 mtt-85 -107.67 121.74 45.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -151.19 156.39 40.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.068 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.674 ' HG3' ' HB2' ' A' ' 102' ' ' ALA . 37.9 mttt -103.69 143.94 32.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -124.29 153.31 41.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.406 ' C ' ' HD2' ' A' ' 83' ' ' LYS . 1.2 tmmt? -146.95 126.7 13.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.926 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.44 ' CD2' HD22 ' A' ' 66' ' ' LEU . 12.6 m-85 -104.22 136.52 43.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.498 ' CB ' ' HB2' ' A' ' 96' ' ' ALA . 32.6 p -149.42 162.81 39.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 26.3 mt -121.69 132.15 71.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.137 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.439 HD21 ' HG3' ' A' ' 93' ' ' GLU . 6.5 mt -98.53 105.89 18.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.675 ' ND2' ' H ' ' A' ' 92' ' ' GLU . 0.4 OUTLIER -59.93 -176.37 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -54.54 -28.53 46.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.103 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.02 13.97 8.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.917 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.79 25.46 52.1 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.484 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.675 ' H ' ' ND2' ' A' ' 88' ' ' ASN . 23.6 mt-10 -102.65 142.58 33.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.807 0.336 . . . . 0.0 110.915 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.439 ' HG3' HD21 ' A' ' 87' ' ' LEU . 6.2 mt-10 -63.82 134.17 54.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.891 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.8 t -156.36 146.7 21.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.148 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 51.8 mmtt 54.51 46.09 25.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.498 ' HB2' ' CB ' ' A' ' 85' ' ' SER . . . -100.28 156.02 17.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.127 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 20.9 mtm -127.03 122.24 33.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -94.88 158.89 15.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 53.7 p -103.52 159.79 15.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.878 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -77.73 -66.23 0.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -133.71 167.34 20.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.674 ' HB2' ' HG3' ' A' ' 81' ' ' LYS . . . -71.51 161.63 30.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.088 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -126.53 169.13 13.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.899 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 23.3 ttm180 -80.29 99.49 7.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.519 ' CE1' HD12 ' A' ' 68' ' ' LEU . 35.3 m-85 -90.46 142.01 28.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.518 HG22 ' HB2' ' A' ' 109' ' ' LYS . 17.0 m -149.74 146.87 16.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.101 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -40.17 100.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.927 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 104.41 20.37 10.35 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.491 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.629 ' O ' HD12 ' A' ' 69' ' ' LEU . 20.9 tptt -102.91 145.37 29.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.806 0.336 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -130.2 123.78 31.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 71.1 m95 -138.51 115.32 10.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -171.73 -154.83 10.27 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.48 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -120.64 145.9 46.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.981 0.42 . . . . 0.0 110.878 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.8 tttt -75.77 -59.53 2.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -88.6 92.89 9.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -84.52 -56.75 3.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.873 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.644 HG12 HD21 ' A' ' 122' ' ' LEU . 7.3 tp -157.91 153.42 6.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.548 ' HG2' ' CD2' ' A' ' 63' ' ' TYR . 28.4 mtt180 -75.69 107.51 7.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.814 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 37.4 mtp180 -38.51 -45.24 1.03 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -53.45 -42.06 66.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.593 ' CE1' ' OD1' ' A' ' 127' ' ' ASN . 65.8 t80 -63.68 -32.44 73.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.761 ' HA ' HD12 ' A' ' 129' ' ' LEU . 12.6 mt -73.69 -56.97 4.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.448 ' HA ' HD12 ' A' ' 130' ' ' LEU . 5.6 mp -61.41 -25.37 67.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.94 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.5 ' OD2' ' HB3' ' A' ' 126' ' ' ALA . 13.2 t70 -54.64 159.15 2.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -100.21 -33.99 10.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.5 ' HB3' ' OD2' ' A' ' 124' ' ' ASP . . . -45.33 -38.07 5.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.085 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' ASN . . . . . 0.593 ' OD1' ' CE1' ' A' ' 121' ' ' PHE . 8.8 m-80 -86.38 -40.0 15.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.973 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 74.18 38.61 46.53 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.455 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.761 HD12 ' HA ' ' A' ' 122' ' ' LEU . 73.4 mt -78.73 -22.08 47.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.818 0.342 . . . . 0.0 110.919 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.707 HD23 ' O ' ' A' ' 129' ' ' LEU . 2.5 mt -133.61 84.65 44.77 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.594 0.711 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -23.58 30.82 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.669 2.246 . . . . 0.0 112.36 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -133.39 28.33 4.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 20' ' ' ASN . 4.3 m-20 64.99 27.07 12.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.835 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.519 ' HB3' HG22 ' A' ' 17' ' ' THR . 6.5 mtpt -112.71 124.04 51.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.443 HD22 ' CE1' ' A' ' 21' ' ' PHE . 67.5 tp -96.81 95.38 7.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.962 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 81.8 m -80.52 95.45 6.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.185 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 17.0 mt -90.7 115.6 27.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' PHE . . . . . 0.414 ' CE1' ' HB2' ' A' ' 13' ' ' SER . 30.2 t80 -98.35 109.65 22.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 139' ' ' CYS . . . . . 0.661 ' SG ' HD21 ' A' ' 49' ' ' LEU . 42.0 t -104.23 150.17 24.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.874 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -134.77 115.04 13.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.579 ' HB ' ' CE2' ' A' ' 12' ' ' PHE . 22.4 t -107.21 139.6 28.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.109 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 142' ' ' SER . . . . . 0.402 ' CB ' ' HG3' ' A' ' 11' ' ' LYS . 3.2 m -126.85 107.19 9.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.452 ' O ' HG23 ' A' ' 9' ' ' VAL . 47.9 t -87.26 110.53 20.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.174 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.7 HG22 ' O ' ' A' ' 79' ' ' ARG . 19.4 m . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.526 HG22 ' N ' ' A' ' 10' ' ' VAL . 2.2 p . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.828 0.346 . . . . 0.0 111.186 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.526 ' N ' HG22 ' A' ' 9' ' ' VAL . 57.5 t -111.78 99.99 9.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.15 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.5 ' HG2' ' CB ' ' A' ' 142' ' ' SER . 18.5 mtmt -108.5 160.61 15.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.575 ' CZ ' ' HB ' ' A' ' 141' ' ' VAL . 34.0 p90 -159.26 135.23 8.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.831 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.499 ' HB2' ' CE1' ' A' ' 138' ' ' PHE . 93.9 p -107.29 132.17 53.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.828 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -122.35 115.93 23.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.87 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 32.9 ttm -87.14 119.14 27.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.93 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.406 ' HZ3' HG23 ' A' ' 51' ' ' VAL . 8.9 t90 -118.54 99.52 6.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.2 m -90.63 126.94 36.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.151 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 29.5 mt -106.73 100.81 11.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.8 127.54 33.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 74.76 44.21 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.528 ' HZ ' HD12 ' A' ' 64' ' ' LEU . 91.8 t80 -54.55 -38.15 66.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.4 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.802 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.858 0.361 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.9 p -121.98 142.92 36.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.109 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 48.6 mt -91.31 112.35 25.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.4 mtmp? -95.0 130.68 41.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.861 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 87.2 p -94.13 178.51 5.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.7 m -64.97 -179.15 0.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.829 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.6 p -102.22 121.23 41.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.105 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.426 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 3.3 p90 -120.35 140.47 51.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 89.3 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.82 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.1 mmmm . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.802 0.334 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.485 HD21 ' HZ2' ' A' ' 47' ' ' TRP . 53.5 tp -66.56 113.19 4.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 57.9 mmtt -111.41 164.98 12.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.485 ' HZ2' HD21 ' A' ' 45' ' ' LEU . 72.1 m95 -142.63 152.57 42.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 8.4 t -141.42 149.42 41.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 40.6 mt -106.0 136.21 46.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 25.3 mtt180 -113.27 104.65 12.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.901 HG22 HD13 ' A' ' 66' ' ' LEU . 77.9 t -105.33 142.4 18.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -132.33 102.35 14.27 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.676 0.75 . . . . 0.0 110.918 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 -27.18 27.02 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.73 2.286 . . . . 0.0 112.332 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -100.19 -12.32 19.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 80.61 -161.26 44.29 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.511 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 15.3 mt -113.62 -48.12 2.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.821 0.343 . . . . 0.0 110.932 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.44 156.87 43.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -39.64 -34.2 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -55.04 -58.66 6.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.476 ' HB2' ' CE ' ' A' ' 114' ' ' LYS . 9.4 t -94.21 38.9 1.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.423 ' CG ' ' N ' ' A' ' 62' ' ' ASP . 18.1 ptmt -84.72 -45.56 12.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.929 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.423 ' N ' ' CG ' ' A' ' 61' ' ' LYS . 1.6 m-20 -66.48 -38.3 86.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.442 ' CE2' ' CG ' ' A' ' 118' ' ' ARG . 4.9 m-85 -97.37 161.01 13.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.892 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.59 HD23 ' N ' ' A' ' 65' ' ' SER . 9.6 tt -90.99 155.95 18.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.951 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.59 ' N ' HD23 ' A' ' 64' ' ' LEU . 3.4 t -120.61 119.53 33.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.901 HD13 HG22 ' A' ' 51' ' ' VAL . 42.9 tp -127.04 116.76 21.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.862 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -124.47 147.46 48.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.701 HD22 ' HB3' ' A' ' 82' ' ' PHE . 22.4 tp -94.92 106.55 18.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.893 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.1 tp -99.97 137.45 38.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.832 HD21 ' HB3' ' A' ' 73' ' ' CYS . 7.3 tp -86.97 86.29 7.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.946 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.594 HG13 ' H ' ' A' ' 72' ' ' SER . 0.2 OUTLIER -38.25 -65.74 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 179.819 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.594 ' H ' HG13 ' A' ' 71' ' ' VAL . 3.9 m -144.46 146.28 32.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.839 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.832 ' HB3' HD21 ' A' ' 70' ' ' LEU . 31.1 p -138.44 143.16 37.38 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.619 0.724 . . . . 0.0 110.901 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -38.92 7.1 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.685 2.256 . . . . 0.0 112.342 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 76' ' ' SER . 24.5 pttt -105.15 146.45 29.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 75' ' ' LYS . 3.1 m -36.31 -69.41 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -112.88 154.54 26.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.5 p -145.52 144.47 21.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.13 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.786 ' O ' HG22 ' A' ' 144' ' ' VAL . 22.7 mtp180 -107.36 124.48 49.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.45 163.08 38.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.401 ' HG3' ' HB2' ' A' ' 102' ' ' ALA . 24.6 mttp -107.99 178.01 4.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.701 ' HB3' HD22 ' A' ' 68' ' ' LEU . 28.6 p90 -159.24 150.07 19.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -148.0 122.83 9.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -102.57 139.09 38.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.427 ' CB ' ' HB2' ' A' ' 96' ' ' ALA . 50.2 p -152.69 159.62 43.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.42 ' O ' ' N ' ' A' ' 94' ' ' THR . 18.7 mt -117.75 137.81 50.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.104 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.9 mt -100.99 106.09 17.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.944 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.634 ' ND2' ' H ' ' A' ' 92' ' ' GLU . 0.5 OUTLIER -59.68 -175.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.42 -32.0 47.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.24 14.92 3.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.88 25.25 52.32 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.512 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.634 ' H ' ' ND2' ' A' ' 88' ' ' ASN . 12.8 mt-10 -105.29 142.87 34.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.803 0.335 . . . . 0.0 110.893 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -58.45 139.33 55.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.432 HG21 ' CD2' ' A' ' 129' ' ' LEU . 2.3 t -159.12 138.26 11.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.139 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 49.9 mmtt 59.03 47.62 11.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.922 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.427 ' HB2' ' CB ' ' A' ' 85' ' ' SER . . . -96.45 167.06 11.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.105 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.477 ' CE ' ' CG ' ' A' ' 113' ' ' PHE . 8.9 mtm -136.87 130.17 31.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -96.88 161.5 13.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.469 ' OG ' ' CE1' ' A' ' 82' ' ' PHE . 16.0 m -100.83 158.55 15.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -75.91 -46.99 27.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.919 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.8 ptp85 -165.05 178.74 6.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.401 ' HB2' ' HG3' ' A' ' 81' ' ' LYS . . . -77.83 131.01 37.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -102.59 161.37 13.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.95 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 23.4 ttp180 -73.48 97.51 2.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.449 ' CZ ' HD23 ' A' ' 68' ' ' LEU . 19.2 m-85 -84.68 151.17 24.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.612 HG22 ' HB2' ' A' ' 109' ' ' LYS . 15.9 m -154.07 148.81 13.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.108 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -42.57 96.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.932 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 105.32 20.2 9.88 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.484 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.612 ' HB2' HG22 ' A' ' 106' ' ' VAL . 14.5 tptt -96.98 144.4 26.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.788 0.328 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.24 118.28 23.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 73.2 m95 -134.12 125.09 27.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 178.93 -141.07 4.73 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.526 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.477 ' CG ' ' CE ' ' A' ' 97' ' ' MET . 17.9 m-85 -127.75 159.01 36.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.941 0.401 . . . . 0.0 110.887 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.476 ' CE ' ' HB2' ' A' ' 60' ' ' SER . 64.9 tttt -88.77 -50.96 5.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.914 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.411 ' HD2' ' CD1' ' A' ' 63' ' ' TYR . 12.0 mmtp -104.99 95.11 5.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -83.33 -57.31 3.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.547 HG23 HD11 ' A' ' 122' ' ' LEU . 6.3 tp -155.53 151.14 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.499 ' N ' HG13 ' A' ' 117' ' ' ILE . 4.7 mtp180 -68.33 116.17 8.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.504 ' HA ' HD13 ' A' ' 122' ' ' LEU . 25.7 ttp85 -50.16 -38.46 39.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -62.32 -40.24 95.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.478 ' CZ ' ' CG ' ' A' ' 127' ' ' ASN . 58.1 t80 -57.46 -48.12 80.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.908 ' HA ' HD12 ' A' ' 129' ' ' LEU . 6.5 mp -53.77 -67.19 0.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.958 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.441 ' CD1' ' H ' ' A' ' 123' ' ' LEU . 4.6 mp -50.85 -36.43 37.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.95 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -43.17 144.76 0.61 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -84.86 -34.5 22.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -42.15 -43.66 3.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' ASN . . . . . 0.478 ' CG ' ' CZ ' ' A' ' 121' ' ' PHE . 4.5 m-20 -87.55 -41.53 13.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 69.68 35.19 73.64 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.523 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.908 HD12 ' HA ' ' A' ' 122' ' ' LEU . 43.2 mt -65.17 -17.21 64.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.875 0.369 . . . . 0.0 110.904 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.416 HD23 ' O ' ' A' ' 129' ' ' LEU . 2.4 mt -132.65 80.07 62.81 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.61 0.719 . . . . 0.0 110.917 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -20.48 34.8 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.66 2.24 . . . . 0.0 112.37 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -124.48 27.42 6.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.878 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 59.03 25.17 13.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 11.7 ptpt -127.06 130.83 50.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.525 HD13 HD23 ' A' ' 122' ' ' LEU . 55.2 tp -95.35 128.79 42.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 97.5 m -107.04 98.36 8.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 9.1 mt -89.86 117.74 28.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.968 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' PHE . . . . . 0.499 ' CE1' ' HB2' ' A' ' 13' ' ' SER . 16.2 t80 -103.91 103.81 13.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 24.6 t -105.83 151.95 23.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -135.86 122.22 20.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.575 ' HB ' ' CZ ' ' A' ' 12' ' ' PHE . 25.7 t -109.96 142.67 21.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.125 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 142' ' ' SER . . . . . 0.5 ' CB ' ' HG2' ' A' ' 11' ' ' LYS . 0.9 OUTLIER -126.21 113.47 17.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.888 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 46.8 t -93.84 117.8 38.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.132 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.786 HG22 ' O ' ' A' ' 79' ' ' ARG . 34.9 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.191 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.509 ' O ' HG13 ' A' ' 9' ' ' VAL . 7.3 p . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.893 0.378 . . . . 0.0 111.121 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 87.1 t -96.35 103.67 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.13 164.71 12.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -151.1 141.03 21.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 83.0 p -109.16 130.25 55.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.721 ' CD2' ' CD2' ' A' ' 37' ' ' PHE . 34.5 t80 -125.59 118.74 26.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.943 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 37.4 ttm -93.26 115.94 28.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 9.6 t90 -115.15 101.98 9.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.4 m -93.6 115.25 27.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 30.7 mt -91.8 99.62 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.172 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -67.56 138.21 56.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.4 m120 64.31 43.88 4.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -54.07 -30.36 47.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.5 t . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.771 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.496 ' O ' ' ND2' ' A' ' 52' ' ' ASN . 21.5 mt-10 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.873 0.368 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.872 HG23 ' OD1' ' A' ' 52' ' ' ASN . 7.7 p -131.74 152.48 37.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.9 mt -104.41 101.57 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.09 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.0 mtmp? -88.46 121.3 30.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 83.9 p -87.74 163.16 16.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.7 m -49.03 176.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 24.7 p -90.45 124.13 34.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.167 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.721 ' CD2' ' CD2' ' A' ' 14' ' ' TYR . 22.9 p90 -119.88 137.66 53.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 72.7 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.823 -179.795 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.6 mmtt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.821 0.344 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.81 HD22 ' NE1' ' A' ' 47' ' ' TRP . 3.0 tt -92.39 129.98 38.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.484 ' N ' HD23 ' A' ' 45' ' ' LEU . 44.5 mmtm -120.27 160.01 23.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.81 ' NE1' HD22 ' A' ' 45' ' ' LEU . 73.0 m95 -138.49 155.3 48.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.938 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.445 ' SG ' HD23 ' A' ' 69' ' ' LEU . 31.0 p -144.08 161.2 39.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' ' 49' ' ' LEU . 11.1 mt -117.53 137.55 52.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.412 ' HE ' HG21 ' A' ' 31' ' ' VAL . 26.0 mtp180 -114.0 109.24 18.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.727 HG22 HD13 ' A' ' 66' ' ' LEU . 44.4 t -111.8 142.18 24.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.872 ' OD1' HG23 ' A' ' 31' ' ' VAL . 6.0 m120 -134.82 101.71 11.54 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.585 0.707 . . . . 0.0 110.904 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.476 ' HA ' ' CD2' ' A' ' 64' ' ' LEU . 53.8 Cg_endo -69.76 -12.22 32.45 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.637 2.225 . . . . 0.0 112.37 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.6 mtpt -114.91 11.85 16.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 59.01 176.38 0.78 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -81.11 -36.77 29.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.761 0.315 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.481 ' CG ' ' N ' ' A' ' 58' ' ' GLU . 14.5 t70 -147.57 171.6 15.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.843 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.481 ' N ' ' CG ' ' A' ' 57' ' ' ASP . 51.2 mt-10 -52.56 -16.46 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 60.0 tt0 -61.4 -61.03 2.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.866 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 27.5 t -106.77 41.37 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.865 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.9 ptmm? -75.23 -30.77 60.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.866 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -77.52 -34.85 53.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.549 ' CD1' ' HG2' ' A' ' 118' ' ' ARG . 8.1 m-85 -92.4 160.24 15.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.476 ' CD2' ' HA ' ' A' ' 53' ' ' PRO . 3.2 tm? -88.99 124.3 34.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.958 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.4 m -96.19 129.87 43.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.727 HD13 HG22 ' A' ' 51' ' ' VAL . 33.4 tp -138.39 131.24 29.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -134.82 152.44 51.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.694 ' C ' HD13 ' A' ' 68' ' ' LEU . 1.5 tm? -101.19 111.55 23.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.931 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.618 HD12 ' O ' ' A' ' 109' ' ' LYS . 8.7 tp -101.88 154.83 18.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.705 HD21 ' HB3' ' A' ' 73' ' ' CYS . 39.9 tp -104.27 82.45 1.95 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.905 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.608 HG13 ' H ' ' A' ' 72' ' ' SER . 1.4 p -35.1 -57.87 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.608 ' H ' HG13 ' A' ' 71' ' ' VAL . 12.2 t -155.51 152.12 28.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.705 ' HB3' HD21 ' A' ' 70' ' ' LEU . 16.8 p -142.13 144.88 33.44 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.655 0.74 . . . . 0.0 110.866 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.471 ' CD ' ' HG ' ' A' ' 45' ' ' LEU . 53.9 Cg_endo -69.74 -50.91 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.745 2.297 . . . . 0.0 112.324 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.7 pttm -90.9 164.7 13.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 20.4 m -42.7 -60.04 1.71 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -134.95 159.4 41.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.844 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.7 p -139.75 140.34 36.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.159 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.415 ' O ' HG22 ' A' ' 144' ' ' VAL . 15.6 mtp180 -107.89 128.8 54.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.851 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.72 157.69 33.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.123 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 29.9 mttp -102.43 131.34 49.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -113.19 147.67 36.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.3 tmmm? -140.57 127.34 20.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.937 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -105.83 137.67 43.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 44.2 p -150.88 156.69 41.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.619 HD11 HG21 ' A' ' 117' ' ' ILE . 37.8 mt -114.96 127.22 72.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.101 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.423 HD21 ' HG3' ' A' ' 93' ' ' GLU . 6.3 mt -89.87 114.11 25.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.956 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.445 ' C ' ' OD1' ' A' ' 88' ' ' ASN . 33.2 p30 -64.71 -176.3 0.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.0 -36.3 60.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.077 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.442 ' N ' ' OD1' ' A' ' 88' ' ' ASN . 0.1 OUTLIER -86.66 21.39 2.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.913 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 55.21 31.12 56.21 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -102.68 134.98 45.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.805 0.335 . . . . 0.0 110.862 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.423 ' HG3' HD21 ' A' ' 87' ' ' LEU . 13.8 mt-10 -62.13 132.29 52.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.422 HG21 ' CD2' ' A' ' 129' ' ' LEU . 6.1 t -153.62 143.28 21.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.177 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.427 ' HG3' ' CD1' ' A' ' 117' ' ' ILE . 58.3 mmtt 60.22 50.13 6.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.928 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -99.96 161.47 13.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.11 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.428 ' CE ' ' CD2' ' A' ' 113' ' ' PHE . 15.4 mtm -133.6 130.62 38.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -106.25 168.39 9.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.843 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 9.2 t -113.82 160.23 18.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.95 -23.09 27.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.6 ttp-105 -164.47 168.84 17.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.14 165.07 25.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.099 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -125.22 154.37 41.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -70.98 103.48 2.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.561 ' CE1' HD12 ' A' ' 68' ' ' LEU . 17.1 m-85 -94.97 114.82 26.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.59 HG22 ' HB2' ' A' ' 109' ' ' LYS . 16.2 m -121.8 158.44 25.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.162 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -45.9 105.5 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 89.64 28.71 18.28 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.462 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.618 ' O ' HD12 ' A' ' 69' ' ' LEU . 19.8 tptt -102.37 140.93 36.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.825 0.345 . . . . 0.0 110.853 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -123.47 124.33 42.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -138.64 124.93 20.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 178.68 -159.15 24.09 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.484 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.428 ' CD2' ' CE ' ' A' ' 97' ' ' MET . 21.9 m-85 -113.28 150.67 32.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.951 0.405 . . . . 0.0 110.85 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 29.8 tttt -76.78 -56.86 4.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 34.7 mttm -102.63 101.88 12.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -83.87 -51.0 7.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.619 HG21 HD11 ' A' ' 86' ' ' ILE . 3.0 tt -171.13 143.19 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.128 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.549 ' HG2' ' CD1' ' A' ' 63' ' ' TYR . 13.3 mtt180 -48.6 118.16 2.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.74 ' HA ' HD13 ' A' ' 122' ' ' LEU . 26.3 ttp85 -52.46 -39.22 60.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.4 -43.5 98.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.61 ' CD2' HD11 ' A' ' 117' ' ' ILE . 65.4 t80 -53.28 -21.61 5.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.756 ' HA ' HD12 ' A' ' 129' ' ' LEU . 6.4 mp -82.03 -59.62 2.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.707 HD13 HD12 ' A' ' 130' ' ' LEU . 2.6 mm? -59.57 -32.8 70.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.916 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -46.35 153.4 0.35 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.871 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -93.21 -33.17 14.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.832 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -41.73 -42.94 2.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.083 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' A' ' 121' ' ' PHE . 0.7 OUTLIER -88.47 -40.4 13.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 72.32 42.03 50.91 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.468 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.756 HD12 ' HA ' ' A' ' 122' ' ' LEU . 69.8 mt -77.18 -25.12 51.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.842 0.353 . . . . 0.0 110.893 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.707 HD12 HD13 ' A' ' 123' ' ' LEU . 6.4 mt -127.01 79.26 73.22 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.613 0.72 . . . . 0.0 110.912 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -32.41 18.42 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.733 2.289 . . . . 0.0 112.301 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -113.87 27.28 9.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.83 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 57.7 36.6 26.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 8.3 ptpt -133.08 127.19 33.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.631 HD13 HD23 ' A' ' 122' ' ' LEU . 64.5 tp -90.9 114.36 26.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 58.3 m -96.07 95.04 7.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.151 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 7.9 mt -87.75 121.14 29.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -106.6 111.21 23.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' CYS . . . . . 0.411 ' HB2' HD11 ' A' ' 49' ' ' LEU . 18.7 t -110.09 152.49 25.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.884 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -140.75 111.84 7.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 45.6 t -104.74 131.35 54.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -118.22 117.19 28.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 54.3 t -90.62 121.94 41.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 144' ' ' VAL . 32.8 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.9 0.381 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 73.2 t -93.07 108.54 20.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.7 159.33 23.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -151.59 143.63 23.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.537 ' HB2' ' CE1' ' A' ' 138' ' ' PHE . 91.5 p -107.16 131.67 53.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -122.02 105.73 10.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.92 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.1 ttp -87.45 105.42 17.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.865 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.556 ' CZ3' ' HB3' ' A' ' 34' ' ' SER . 8.0 t90 -105.15 112.33 25.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 35.7 m -101.81 132.34 47.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.163 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 32.3 mt -111.2 101.45 12.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -67.6 134.53 51.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 68.39 48.98 0.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -59.69 -33.85 72.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.6 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.794 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.876 0.369 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.428 HG22 ' N ' ' A' ' 32' ' ' ILE . 8.8 p -129.03 154.74 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.127 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.428 ' N ' HG22 ' A' ' 31' ' ' VAL . 96.3 mt -100.25 103.28 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.114 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.8 mtmt -84.23 131.74 34.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.556 ' HB3' ' CZ3' ' A' ' 16' ' ' TRP . 77.7 p -94.55 166.91 11.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.842 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.6 m -59.45 170.96 0.89 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.1 p -89.31 120.67 30.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.138 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 12.3 p90 -111.41 154.29 24.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 79.9 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.787 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.5 mmmt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.819 0.343 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.541 HD22 ' NE1' ' A' ' 47' ' ' TRP . 1.6 tt -63.43 126.95 29.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.943 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.3 mmtp -115.34 165.26 13.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.541 ' NE1' HD22 ' A' ' 45' ' ' LEU . 78.4 m95 -141.62 155.36 45.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.947 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 17.4 t -146.89 153.2 39.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 73.9 mt -113.18 131.93 55.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.949 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -105.83 105.8 16.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.757 HG22 HD13 ' A' ' 66' ' ' LEU . 82.5 t -107.27 135.87 44.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.137 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.625 ' O ' HD22 ' A' ' 64' ' ' LEU . 65.7 m-80 -127.18 101.5 25.3 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.635 0.731 . . . . 0.0 110.868 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.472 ' HA ' ' CD2' ' A' ' 64' ' ' LEU . 53.8 Cg_endo -69.69 -47.25 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.656 2.237 . . . . 0.0 112.349 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.2 tttp -84.84 35.42 0.57 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 45.21 -167.68 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.441 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 15.7 mt -119.53 -51.35 2.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.798 0.333 . . . . 0.0 110.904 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 59' ' ' GLU . 0.7 OUTLIER -130.97 154.44 48.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.868 179.854 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -37.09 -30.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 57' ' ' ASP . 21.5 tp10 -55.11 -52.66 62.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 57.2 p -119.46 44.21 2.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.6 ptmm? -67.68 -38.86 84.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -99.61 36.06 1.86 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -142.27 149.19 39.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.625 HD22 ' O ' ' A' ' 52' ' ' ASN . 2.0 tm? -88.69 124.93 34.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.2 t -105.79 122.75 46.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.757 HD13 HG22 ' A' ' 51' ' ' VAL . 36.5 tp -130.51 113.73 14.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.926 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.586 ' CD2' ' N ' ' A' ' 112' ' ' GLY . 25.8 m-85 -118.61 150.67 39.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.552 ' C ' HD13 ' A' ' 68' ' ' LEU . 0.9 OUTLIER -91.58 102.81 15.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.6 tp -96.21 137.99 34.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.62 HD21 ' HB3' ' A' ' 73' ' ' CYS . 24.9 tp -93.4 83.39 4.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.504 HG13 ' H ' ' A' ' 72' ' ' SER . 0.2 OUTLIER -36.06 -61.51 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 179.818 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.504 ' H ' HG13 ' A' ' 71' ' ' VAL . 3.4 m -148.83 159.15 44.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.62 ' HB3' HD21 ' A' ' 70' ' ' LEU . 31.8 p -150.09 143.54 16.7 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.605 0.717 . . . . 0.0 110.869 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -48.95 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.64 2.227 . . . . 0.0 112.357 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.5 pttm -92.36 154.98 18.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 69.2 m -39.87 -59.06 1.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -128.75 154.15 46.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.6 p -141.59 142.77 28.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.093 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.424 ' O ' HG22 ' A' ' 144' ' ' VAL . 27.7 mtp180 -110.53 135.2 51.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -160.16 159.86 32.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.669 ' HG3' ' HB2' ' A' ' 102' ' ' ALA . 47.7 mttt -104.56 121.48 43.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -109.41 144.66 37.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.838 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.9 tmmm? -140.33 137.34 34.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -112.25 147.61 35.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 28.5 p -159.69 161.76 34.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.486 ' O ' HG22 ' A' ' 94' ' ' THR . 36.5 mt -125.32 128.22 72.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.115 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.9 mt -90.51 110.72 21.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.588 ' ND2' ' H ' ' A' ' 92' ' ' GLU . 0.8 OUTLIER -66.35 -173.99 0.24 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -52.29 -37.32 55.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -82.5 14.68 2.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.65 26.06 52.33 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.478 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.588 ' H ' ' ND2' ' A' ' 88' ' ' ASN . 23.1 mm-40 -102.3 134.06 46.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.829 0.347 . . . . 0.0 110.899 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -54.19 130.42 38.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.486 HG22 ' O ' ' A' ' 86' ' ' ILE . 5.4 t -148.02 156.31 42.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 45.69 45.67 11.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.887 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -91.89 165.22 13.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.093 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.482 ' CE ' ' CG ' ' A' ' 113' ' ' PHE . 16.4 mtm -140.86 125.06 17.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -107.7 152.15 24.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 37.8 p -96.73 160.07 14.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 14.9 tm0? -67.37 -43.98 80.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 31.1 mtm180 -158.69 176.64 12.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.669 ' HB2' ' HG3' ' A' ' 81' ' ' LYS . . . -69.78 149.78 47.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -113.06 173.6 6.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -85.28 98.44 10.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.463 ' HB3' HD22 ' A' ' 70' ' ' LEU . 14.1 m-85 -89.1 131.31 35.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.567 HG22 ' HB2' ' A' ' 109' ' ' LYS . 19.2 m -139.52 157.19 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.105 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -45.38 104.42 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.93 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 91.47 28.37 14.79 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.482 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.567 ' HB2' HG22 ' A' ' 106' ' ' VAL . 15.9 tptt -103.2 128.86 50.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.807 0.337 . . . . 0.0 110.944 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -113.85 124.64 52.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.465 ' CD1' ' HG3' ' A' ' 109' ' ' LYS . 89.9 m95 -137.07 118.12 14.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.969 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.586 ' N ' ' CD2' ' A' ' 67' ' ' TYR . . . -176.81 -152.87 10.16 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.49 ' O ' ' CE1' ' A' ' 67' ' ' TYR . 8.2 m-85 -123.77 151.39 43.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.95 0.405 . . . . 0.0 110.877 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 31.8 tttt -75.76 -56.89 4.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 62.7 mttt -100.3 92.83 5.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -82.25 -46.07 14.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.485 HG13 ' N ' ' A' ' 118' ' ' ARG . 7.2 tp -159.64 152.85 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.181 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.485 ' N ' HG13 ' A' ' 117' ' ' ILE . 11.2 mtt85 -74.16 108.64 7.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.472 ' HA ' HD13 ' A' ' 122' ' ' LEU . 31.7 ttt180 -40.68 -43.44 1.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -60.26 -41.31 92.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.593 ' CZ ' ' OD1' ' A' ' 127' ' ' ASN . 33.2 t80 -54.98 -44.97 74.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.573 ' H ' HD12 ' A' ' 122' ' ' LEU . 6.2 mp -58.48 -62.0 2.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.931 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 7.3 mt -55.65 -36.14 66.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -42.19 145.31 0.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -82.01 -32.05 30.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -47.72 -42.74 25.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.095 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' ASN . . . . . 0.593 ' OD1' ' CZ ' ' A' ' 121' ' ' PHE . 15.3 m-80 -91.63 -43.21 9.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 65.71 31.63 80.5 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.475 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.552 HD13 ' HB3' ' A' ' 127' ' ' ASN . 1.6 mp -57.13 -26.61 60.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.846 0.355 . . . . 0.0 110.887 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 6.6 mt -123.22 81.77 52.02 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.632 0.73 . . . . 0.0 110.948 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -31.42 20.48 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.625 2.217 . . . . 0.0 112.384 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -114.11 27.38 9.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 57.96 31.18 20.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 4.2 ptpt -130.61 131.45 44.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 59.5 tp -95.05 121.06 36.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 88.0 m -100.67 98.9 9.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 10.3 mt -89.54 116.0 27.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.948 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' PHE . . . . . 0.537 ' CE1' ' HB2' ' A' ' 13' ' ' SER . 4.5 t80 -103.17 102.4 12.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 32.0 t -105.08 145.14 30.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -128.61 115.21 17.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 65.0 t -105.64 134.58 46.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.164 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 16.1 m -124.71 110.63 14.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 59.6 t -86.9 125.11 40.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.167 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 144' ' ' VAL . 35.3 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.101 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.9 p . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.862 0.363 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 89.7 t -100.17 112.35 32.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.89 164.39 17.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.433 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 1.7 p90 -150.55 145.26 25.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.894 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.565 ' HB2' ' CE1' ' A' ' 138' ' ' PHE . 89.4 p -108.59 126.87 53.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.701 ' CD2' ' CD1' ' A' ' 37' ' ' PHE . 22.6 t80 -119.95 111.49 17.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 35.3 ttm -87.17 115.85 24.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.862 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.471 ' HZ3' HG23 ' A' ' 51' ' ' VAL . 12.8 t90 -116.99 107.7 14.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.918 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.2 m -98.53 124.15 43.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.112 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 33.7 mt -101.53 98.45 6.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.48 132.01 46.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 69.15 43.68 1.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.842 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -55.45 -35.34 65.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 72.4 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 -179.772 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.921 0.391 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.616 HG21 ' HE ' ' A' ' 50' ' ' ARG . 10.0 p -144.65 145.48 21.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.082 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 19.9 mt -93.61 120.48 43.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.22 130.63 47.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.8 p -93.68 170.82 9.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.48 -174.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 55.0 p -107.81 125.3 51.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.186 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.701 ' CD1' ' CD2' ' A' ' 14' ' ' TYR . 5.4 p90 -117.77 144.65 45.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 95.3 p . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 -179.815 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.811 0.339 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.517 HD21 ' HZ2' ' A' ' 47' ' ' TRP . 19.6 tp -73.73 115.68 13.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 36.4 mmtm -114.18 161.28 18.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.517 ' HZ2' HD21 ' A' ' 45' ' ' LEU . 63.6 m95 -138.24 154.09 49.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.925 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 12.3 t -141.56 149.2 40.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 43.2 mt -105.28 136.41 44.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.616 ' HE ' HG21 ' A' ' 31' ' ' VAL . 17.8 mtp180 -111.66 109.39 19.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.476 HG22 HD13 ' A' ' 66' ' ' LEU . 61.5 t -105.75 143.44 16.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.426 ' HA ' ' HD2' ' A' ' 53' ' ' PRO . 1.0 OUTLIER -134.68 102.83 11.25 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.606 0.717 . . . . 0.0 110.863 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.582 ' HA ' HD12 ' A' ' 64' ' ' LEU . 53.3 Cg_endo -69.75 -46.34 1.27 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.693 2.262 . . . . 0.0 112.317 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.4 tttm -83.56 -13.75 53.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.99 148.55 4.32 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.464 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 31.8 mt -51.5 -46.39 63.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.781 0.324 . . . . 0.0 110.877 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -146.09 163.31 35.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -46.75 -21.77 0.23 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -51.59 -52.55 46.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -117.48 50.74 1.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.1 ptmm? -82.86 -36.05 25.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.952 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -62.01 -50.48 71.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.453 ' CD1' ' CG ' ' A' ' 115' ' ' LYS . 0.3 OUTLIER -95.73 166.58 11.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.947 -179.875 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.582 HD12 ' HA ' ' A' ' 53' ' ' PRO . 4.0 tp -89.03 142.54 27.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 28.6 t -109.21 102.95 11.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.805 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.565 HD21 ' CD1' ' A' ' 84' ' ' PHE . 34.3 tp -108.06 139.11 43.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.921 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.474 ' CD2' ' N ' ' A' ' 112' ' ' GLY . 37.7 m-85 -144.53 153.05 41.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.697 HD22 ' HB3' ' A' ' 82' ' ' PHE . 41.1 tp -97.83 105.26 17.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.93 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.8 tp -93.79 135.77 34.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.825 HD21 ' HB3' ' A' ' 73' ' ' CYS . 53.5 tp -89.47 87.0 6.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.945 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.575 HG13 ' H ' ' A' ' 72' ' ' SER . 0.2 OUTLIER -40.84 -63.78 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.853 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.575 ' H ' HG13 ' A' ' 71' ' ' VAL . 3.3 m -146.65 142.87 28.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.825 ' HB3' HD21 ' A' ' 70' ' ' LEU . 28.2 p -134.38 140.18 35.03 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.598 0.713 . . . . 0.0 110.93 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -36.27 11.07 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.682 2.255 . . . . 0.0 112.352 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.8 pttm -105.78 152.32 23.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.2 m -39.68 -57.25 1.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.826 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -128.97 155.83 44.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.4 p -145.35 136.96 20.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.104 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.864 ' O ' HG22 ' A' ' 144' ' ' VAL . 22.6 mtt-85 -106.01 133.11 51.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.422 ' HB1' ' O ' ' A' ' 142' ' ' SER . . . -159.35 155.98 27.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.145 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.417 ' HG3' ' HB2' ' A' ' 102' ' ' ALA . 55.1 mttt -101.83 125.01 48.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.697 ' HB3' HD22 ' A' ' 68' ' ' LEU . 44.0 p90 -110.46 153.6 24.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.1 tmmm? -146.8 126.83 13.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.565 ' CD1' HD21 ' A' ' 66' ' ' LEU . 31.5 m-85 -103.76 153.37 20.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.407 ' CB ' ' HB2' ' A' ' 96' ' ' ALA . 62.7 p -165.71 160.01 16.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 18.3 mt -119.67 127.57 75.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.1 mt -90.99 109.8 21.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.947 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' A' ' 90' ' ' LYS . 26.1 p30 -57.66 -176.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.15 -32.43 64.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.071 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.453 ' N ' ' OD1' ' A' ' 88' ' ' ASN . 3.5 mptt -88.01 20.24 3.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.942 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 55.48 33.15 58.53 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.459 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -108.6 135.84 49.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.809 0.338 . . . . 0.0 110.846 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -57.29 137.66 55.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.7 t -161.6 143.47 11.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.125 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 42.2 mmtt 56.65 45.15 22.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.407 ' HB2' ' CB ' ' A' ' 85' ' ' SER . . . -94.6 167.16 11.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.103 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.428 ' HE3' ' CG ' ' A' ' 113' ' ' PHE . 13.7 mtm -141.21 118.85 11.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -92.75 161.68 14.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.837 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 85.7 p -104.15 158.36 16.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -81.27 -72.4 0.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.93 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 5.9 mpt_? -122.45 156.33 34.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.417 ' HB2' ' HG3' ' A' ' 81' ' ' LYS . . . -64.95 144.72 57.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.071 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -107.97 165.41 11.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 18.7 ttm180 -85.42 103.46 14.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.855 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.576 ' CE1' ' HB2' ' A' ' 111' ' ' TRP . 44.8 m-85 -91.52 151.63 20.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.686 ' C ' HD23 ' A' ' 70' ' ' LEU . 29.4 m -151.89 165.07 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.122 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -52.17 106.01 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 91.49 22.56 31.25 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.543 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.508 ' HB2' HG22 ' A' ' 106' ' ' VAL . 11.4 tptt -95.57 150.62 20.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.824 0.345 . . . . 0.0 110.89 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -135.05 121.24 20.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.576 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 81.9 m95 -137.07 128.8 28.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.474 ' N ' ' CD2' ' A' ' 67' ' ' TYR . . . 177.81 -142.07 5.46 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.521 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.428 ' CG ' ' HE3' ' A' ' 97' ' ' MET . 21.1 m-85 -127.23 151.24 48.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.915 0.388 . . . . 0.0 110.87 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 34.0 tttt -81.75 -56.43 4.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.453 ' CG ' ' CD1' ' A' ' 63' ' ' TYR . 0.3 OUTLIER -96.34 94.88 7.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.882 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -83.38 -50.79 7.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.857 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.592 HG21 HD21 ' A' ' 122' ' ' LEU . 4.1 tt -170.82 148.59 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 19.9 mtm180 -60.69 114.21 2.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.759 ' HA ' HD12 ' A' ' 122' ' ' LEU . 20.6 ttt180 -52.98 -39.17 62.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.01 -26.5 66.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.453 ' CZ ' ' HB3' ' A' ' 127' ' ' ASN . 71.5 t80 -77.76 -39.35 44.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.759 HD12 ' HA ' ' A' ' 119' ' ' ARG . 9.1 mt -58.46 -48.57 80.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.95 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.425 ' N ' HD12 ' A' ' 123' ' ' LEU . 6.2 mp -70.1 -41.83 73.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 123' ' ' LEU . 1.4 t70 -37.91 152.51 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -92.21 -31.76 15.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -40.5 -48.1 2.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.086 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' ASN . . . . . 0.453 ' HB3' ' CZ ' ' A' ' 121' ' ' PHE . 2.1 p30 -84.95 -38.56 19.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 71.38 34.26 63.92 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.453 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.651 ' O ' HD23 ' A' ' 130' ' ' LEU . 69.9 mt -68.17 -18.19 64.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.857 0.36 . . . . 0.0 110.908 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.651 HD23 ' O ' ' A' ' 129' ' ' LEU . 12.5 mt -134.61 80.68 50.0 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.61 0.719 . . . . 0.0 110.949 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -17.69 37.56 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.664 2.243 . . . . 0.0 112.331 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -130.47 28.37 4.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 56.39 31.31 18.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 8.4 ptpt -127.31 122.69 34.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.831 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 47.1 tp -90.57 117.1 28.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.914 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 85.0 m -95.89 96.88 9.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 11.7 mt -87.71 111.06 20.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' PHE . . . . . 0.565 ' CE1' ' HB2' ' A' ' 13' ' ' SER . 6.7 t80 -98.56 106.33 18.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 38.1 t -110.67 154.15 24.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -139.77 117.24 11.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 46.4 t -103.19 131.78 50.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.132 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' SER . . . . . 0.422 ' O ' ' HB1' ' A' ' 80' ' ' ALA . 21.1 m -117.65 110.55 18.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.82 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 89.3 t -83.82 121.76 36.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.158 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.864 HG22 ' O ' ' A' ' 79' ' ' ARG . 27.9 m . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.115 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.9 p . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.844 0.354 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 76.8 t -91.32 101.01 12.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.95 165.66 12.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -153.45 142.96 21.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.843 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.579 ' HB2' ' CE1' ' A' ' 138' ' ' PHE . 61.6 p -107.38 130.92 54.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.549 ' CD2' ' CD2' ' A' ' 37' ' ' PHE . 27.8 t80 -125.94 111.66 15.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 31.6 ttm -88.88 118.02 28.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 8.6 t90 -118.52 99.47 6.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.407 HG21 ' HD3' ' A' ' 134' ' ' LYS . 52.2 m -89.73 112.91 24.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 47.6 mt -87.8 98.92 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.118 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.92 131.52 45.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 73.87 45.96 0.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -54.2 -40.02 67.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.6 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.765 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.924 0.392 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.491 HG21 ' HB3' ' A' ' 50' ' ' ARG . 12.7 p -149.31 142.23 17.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.068 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 18.4 mt -95.05 103.17 14.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.137 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.42 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 25.3 mtmm -88.1 113.9 24.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 85.3 p -73.46 166.03 23.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.81 -174.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.892 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 44.9 p -95.18 137.31 34.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.155 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.549 ' CD2' ' CD2' ' A' ' 14' ' ' TYR . 19.6 p90 -132.86 145.33 50.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 93.1 p . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.764 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.5 mmmm . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.816 0.341 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.52 HD13 ' HD2' ' A' ' 74' ' ' PRO . 46.1 tp -72.85 127.54 32.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.933 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.0 mmtp -126.09 159.5 32.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.519 ' CZ3' HD13 ' A' ' 70' ' ' LEU . 74.6 m95 -142.05 151.81 42.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.943 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 32.1 p -138.22 167.28 22.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.41 HD22 HD11 ' A' ' 66' ' ' LEU . 19.3 mt -121.16 135.68 55.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.491 ' HB3' HG21 ' A' ' 31' ' ' VAL . 24.2 mtp180 -114.11 108.7 17.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.1 t -108.49 138.34 35.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.66 ' O ' HD22 ' A' ' 64' ' ' LEU . 0.8 OUTLIER -125.67 101.75 29.83 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.652 0.739 . . . . 0.0 110.846 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.486 ' HA ' HD23 ' A' ' 64' ' ' LEU . 54.5 Cg_endo -69.71 -5.41 16.1 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.712 2.275 . . . . 0.0 112.384 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.4 mttp -129.5 8.13 5.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 65.15 -174.17 17.15 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.477 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.441 HD22 ' N ' ' A' ' 56' ' ' LEU . 3.7 mm? -88.0 -35.75 17.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.803 0.335 . . . . 0.0 110.902 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.492 ' CG ' ' N ' ' A' ' 58' ' ' GLU . 14.6 t70 -144.32 171.57 14.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.492 ' N ' ' CG ' ' A' ' 57' ' ' ASP . 70.3 mt-10 -50.8 -17.57 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -63.61 -62.96 1.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.93 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 34.3 t -101.11 39.9 1.35 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.855 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.5 ptmm? -78.54 -33.79 47.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.521 ' OD1' ' CD2' ' A' ' 63' ' ' TYR . 0.5 OUTLIER -76.18 -35.65 59.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 179.847 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.521 ' CD2' ' OD1' ' A' ' 62' ' ' ASP . 8.1 m-85 -90.71 162.57 14.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.66 HD22 ' O ' ' A' ' 52' ' ' ASN . 3.2 tm? -95.24 128.13 41.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.978 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.582 ' N ' HD13 ' A' ' 64' ' ' LEU . 16.0 t -104.05 123.17 46.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.754 HD21 ' CD1' ' A' ' 84' ' ' PHE . 3.1 tp -129.9 113.59 14.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.956 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -112.4 165.67 11.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.919 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.528 HD22 ' HB3' ' A' ' 82' ' ' PHE . 28.0 tp -115.02 100.29 8.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.899 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.846 HD12 ' O ' ' A' ' 109' ' ' LYS . 6.1 tp -92.39 147.38 22.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.813 HD21 ' HB3' ' A' ' 73' ' ' CYS . 43.5 tp -95.29 83.0 3.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.654 HG13 ' H ' ' A' ' 72' ' ' SER . 0.6 OUTLIER -35.61 -64.57 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.153 179.861 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.654 ' H ' HG13 ' A' ' 71' ' ' VAL . 19.4 m -145.57 148.94 33.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.813 ' HB3' HD21 ' A' ' 70' ' ' LEU . 28.5 p -140.35 143.18 32.27 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.626 0.727 . . . . 0.0 110.854 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.52 ' HD2' HD13 ' A' ' 45' ' ' LEU . 54.0 Cg_endo -69.74 -50.72 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.644 2.229 . . . . 0.0 112.382 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 76' ' ' SER . 13.9 pttm -93.5 157.19 16.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 75' ' ' LYS . 47.9 m -37.3 -73.5 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -119.55 152.5 36.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.402 HG12 ' O ' ' A' ' 105' ' ' PHE . 2.7 p -140.92 135.81 33.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.114 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.43 ' O ' HG22 ' A' ' 144' ' ' VAL . 22.3 mtt180 -99.01 135.94 39.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -161.35 161.36 30.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.075 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.458 ' HG3' ' HB2' ' A' ' 102' ' ' ALA . 28.3 mttp -101.87 171.89 7.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.528 ' HB3' HD22 ' A' ' 68' ' ' LEU . 26.0 p90 -152.01 141.8 21.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -142.21 115.9 9.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.754 ' CD1' HD21 ' A' ' 66' ' ' LEU . 36.7 m-85 -98.03 146.64 25.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 31.6 p -158.46 156.43 30.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.407 ' O ' ' N ' ' A' ' 94' ' ' THR . 24.3 mt -116.39 135.55 56.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.16 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.483 HD13 ' O ' ' A' ' 91' ' ' GLY . 4.4 mt -100.46 106.69 18.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.659 ' ND2' ' H ' ' A' ' 92' ' ' GLU . 0.6 OUTLIER -57.56 -174.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 179.921 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.81 -33.14 64.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.487 ' HE2' ' N ' ' A' ' 90' ' ' LYS . 0.6 OUTLIER -80.17 2.42 24.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.483 ' O ' HD13 ' A' ' 87' ' ' LEU . . . 70.72 17.67 75.21 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.473 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.659 ' H ' ' ND2' ' A' ' 88' ' ' ASN . 18.3 mm-40 -97.26 144.49 27.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.802 0.334 . . . . 0.0 110.921 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -60.31 136.61 58.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.451 HG21 ' CD2' ' A' ' 129' ' ' LEU . 5.1 t -155.57 140.84 17.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 25.4 mmtt 55.1 50.35 15.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -98.03 165.85 11.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.064 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.544 ' CE ' ' CG ' ' A' ' 113' ' ' PHE . 11.3 mtm -139.95 129.16 23.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -97.55 157.63 15.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 44.6 t -94.26 151.95 19.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.821 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -72.19 -63.88 1.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.936 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.475 ' O ' ' CE1' ' A' ' 103' ' ' TYR . 6.6 tpt180 -147.48 140.48 25.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.458 ' HB2' ' HG3' ' A' ' 81' ' ' LYS . . . -40.96 152.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.475 ' CE1' ' O ' ' A' ' 101' ' ' ARG . 52.1 m-85 -124.88 172.5 9.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.919 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 26.3 ttp180 -80.19 112.89 17.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.537 ' CZ ' ' HB2' ' A' ' 111' ' ' TRP . 23.9 m-85 -108.65 110.3 21.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.404 ' C ' HD23 ' A' ' 70' ' ' LEU . 1.7 m -120.4 160.3 21.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.19 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -47.69 99.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 104.25 26.96 6.37 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.449 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.846 ' O ' HD12 ' A' ' 69' ' ' LEU . 21.6 tptt -110.52 160.24 16.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.788 0.328 . . . . 0.0 110.879 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' A' ' 68' ' ' LEU . 8.4 t0 -148.63 134.47 18.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.537 ' HB2' ' CZ ' ' A' ' 105' ' ' PHE . 94.6 m95 -145.61 129.21 17.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -177.6 -133.38 1.84 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.473 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.544 ' CG ' ' CE ' ' A' ' 97' ' ' MET . 76.0 m-85 -133.31 149.65 51.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.877 0.37 . . . . 0.0 110.891 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 38.2 tttt -79.09 -52.43 8.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.466 ' HG2' ' CD2' ' A' ' 63' ' ' TYR . 56.9 mttt -112.03 101.39 9.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.401 ' HB3' ' O ' ' A' ' 64' ' ' LEU . 14.9 t80 -81.17 -51.68 8.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.836 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.523 ' CG2' HD21 ' A' ' 122' ' ' LEU . 3.6 tt -169.87 148.9 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.116 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 36.8 mtt-85 -57.71 112.06 1.34 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 7.4 ttt-85 -48.32 -39.3 21.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -58.3 -31.3 67.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.723 ' CE1' HD11 ' A' ' 129' ' ' LEU . 61.3 t80 -70.38 -32.58 70.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.774 ' HA ' HD12 ' A' ' 129' ' ' LEU . 11.7 mt -67.58 -58.27 4.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.718 ' HA ' HD12 ' A' ' 130' ' ' LEU . 6.2 mp -60.31 -44.48 95.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 123' ' ' LEU . 4.4 m-20 -35.9 151.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -91.32 -34.94 14.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -38.82 -45.01 1.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' ASN . . . . . 0.552 ' CG ' ' CZ ' ' A' ' 121' ' ' PHE . 13.5 m-80 -86.27 -42.42 13.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 75.45 33.56 52.52 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.501 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.774 HD12 ' HA ' ' A' ' 122' ' ' LEU . 50.1 mt -69.51 -21.91 63.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.797 0.332 . . . . 0.0 110.877 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.718 HD12 ' HA ' ' A' ' 123' ' ' LEU . 4.8 mt -130.61 79.91 71.11 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.623 0.725 . . . . 0.0 110.912 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -25.74 28.48 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.697 2.265 . . . . 0.0 112.37 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -120.6 26.7 8.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 60.37 31.31 20.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.407 ' HD3' HG21 ' A' ' 17' ' ' THR . 6.5 ptpt -128.51 129.87 46.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 28.3 tp -96.06 105.35 17.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 84.4 m -82.16 99.31 9.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 11.2 mt -92.37 116.38 28.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' PHE . . . . . 0.579 ' CE1' ' HB2' ' A' ' 13' ' ' SER . 4.7 t80 -105.84 103.01 12.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 37.3 t -105.36 154.7 19.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -140.38 119.29 12.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 48.8 t -109.43 139.02 34.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 4.2 p -122.17 115.76 22.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 72.2 t -92.77 118.98 39.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.167 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 144' ' ' VAL . 29.3 m . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 143' ' ' VAL . 7.5 p . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.878 0.37 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.1 t -86.89 106.37 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.48 154.08 31.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -149.54 144.27 26.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.541 ' HB2' ' CE1' ' A' ' 138' ' ' PHE . 69.3 p -110.34 149.16 30.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.791 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -142.52 113.41 7.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.941 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.524 ' HG2' HG23 ' A' ' 136' ' ' THR . 33.2 ttm -86.61 119.4 26.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.761 ' CZ2' HD11 ' A' ' 18' ' ' ILE . 9.5 t90 -113.42 98.82 7.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 49.1 m -93.73 104.58 16.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.761 HD11 ' CZ2' ' A' ' 16' ' ' TRP . 36.2 mt -87.27 98.15 7.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.179 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.19 127.48 32.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 133' ' ' ASP . 21.5 t30 64.42 54.89 1.45 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -57.74 -12.1 2.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 -179.802 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.431 ' O ' ' ND2' ' A' ' 52' ' ' ASN . 8.9 mm-40 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.848 0.356 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.915 HG23 ' OD1' ' A' ' 52' ' ' ASN . 9.3 p -135.86 150.88 28.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 31.4 mt -102.31 105.94 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.119 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.8 mttm -90.54 122.88 33.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 59.0 p -86.48 169.46 12.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.836 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 59.1 m -57.48 161.9 3.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 77.7 p -81.24 121.65 26.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.113 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 18.7 p90 -118.5 145.0 45.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.3 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 -179.809 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.788 0.328 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.7 HD22 ' NE1' ' A' ' 47' ' ' TRP . 2.9 tt -70.56 125.01 25.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.455 ' N ' HD23 ' A' ' 45' ' ' LEU . 60.7 mmtt -112.21 161.88 16.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.7 ' NE1' HD22 ' A' ' 45' ' ' LEU . 71.0 m95 -139.68 148.42 42.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.867 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.437 ' SG ' HD23 ' A' ' 69' ' ' LEU . 24.6 p -138.23 149.12 45.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.458 HD11 ' CB ' ' A' ' 139' ' ' CYS . 11.1 mt -106.52 138.09 43.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.589 ' HD2' HD22 ' A' ' 69' ' ' LEU . 64.3 mtp180 -115.71 114.75 25.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.558 HG13 HD11 ' A' ' 64' ' ' LEU . 19.1 t -117.96 134.86 60.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.173 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.915 ' OD1' HG23 ' A' ' 31' ' ' VAL . 4.2 m120 -124.99 102.06 31.7 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.61 0.719 . . . . 0.0 110.916 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.479 ' HA ' ' CD2' ' A' ' 64' ' ' LEU . 54.4 Cg_endo -69.71 -23.93 30.45 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.688 2.258 . . . . 0.0 112.369 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.0 ttmt -104.52 13.88 30.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 55.79 173.04 0.13 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.458 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 18.9 mt -88.99 -35.89 16.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.812 0.339 . . . . 0.0 110.942 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -130.54 173.15 11.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -68.73 -7.41 33.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -76.93 -56.34 4.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 59.5 p -104.13 38.88 1.75 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.4 ptmm? -80.23 -30.87 38.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.434 ' C ' ' OD1' ' A' ' 62' ' ' ASP . 5.2 t0 -74.81 -37.43 62.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.85 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -89.09 166.36 13.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.558 HD11 HG13 ' A' ' 51' ' ' VAL . 1.3 tm? -89.95 131.57 35.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.938 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.7 t -103.86 115.84 31.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.549 HD21 ' CD1' ' A' ' 84' ' ' PHE . 12.7 tp -124.75 126.75 46.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.476 ' N ' HD12 ' A' ' 66' ' ' LEU . 50.8 m-85 -131.21 157.72 42.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.955 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.591 ' C ' HD13 ' A' ' 68' ' ' LEU . 0.7 OUTLIER -104.77 111.05 23.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.936 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.754 HD12 ' O ' ' A' ' 109' ' ' LYS . 11.7 tp -104.38 148.75 26.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.951 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.683 HD21 ' HB3' ' A' ' 73' ' ' CYS . 41.4 tp -99.82 85.56 3.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.643 HG13 ' H ' ' A' ' 72' ' ' SER . 0.3 OUTLIER -38.02 -66.11 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.101 179.87 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.643 ' H ' HG13 ' A' ' 71' ' ' VAL . 18.9 m -146.02 147.67 31.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.82 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.683 ' HB3' HD21 ' A' ' 70' ' ' LEU . 26.1 p -137.97 145.99 50.39 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.615 0.722 . . . . 0.0 110.897 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -48.08 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.762 2.308 . . . . 0.0 112.316 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.8 pttm -95.34 169.14 10.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.934 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 66.7 m -48.91 -68.63 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -124.0 155.72 37.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.886 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.5 p -142.36 140.24 29.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 22.3 mtp180 -103.25 133.88 47.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -160.63 159.12 30.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.616 ' HG3' ' HB2' ' A' ' 102' ' ' ALA . 71.1 mttt -107.61 130.08 54.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -113.09 149.02 34.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.3 tmmm? -141.77 141.93 33.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.549 ' CD1' HD21 ' A' ' 66' ' ' LEU . 22.5 m-85 -118.67 140.49 49.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.461 ' CB ' ' HB2' ' A' ' 96' ' ' ALA . 39.1 p -156.02 148.25 23.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.836 -179.776 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.625 HD11 HG21 ' A' ' 117' ' ' ILE . 24.3 mt -106.43 132.43 53.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.148 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.8 mt -101.81 108.99 20.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.942 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.495 ' ND2' ' HG2' ' A' ' 92' ' ' GLU . 38.3 p30 -60.23 -177.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.86 -19.37 41.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.092 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.451 ' HD2' ' N ' ' A' ' 90' ' ' LYS . 4.3 mptt -95.42 11.74 31.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 58.97 30.56 66.78 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.476 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.495 ' HG2' ' ND2' ' A' ' 88' ' ' ASN . 4.1 pt-20 -103.64 133.23 49.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.866 0.365 . . . . 0.0 110.861 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -61.75 122.64 15.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.3 t -144.79 154.41 42.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 34.2 mmtt 48.64 46.98 21.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.461 ' HB2' ' CB ' ' A' ' 85' ' ' SER . . . -99.66 151.28 21.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.096 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 19.5 mtm -127.6 119.71 26.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -93.4 160.66 14.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 28.8 p -108.44 155.31 20.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -76.58 -66.69 0.78 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -124.54 168.67 12.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.616 ' HB2' ' HG3' ' A' ' 81' ' ' LYS . . . -78.2 158.41 29.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.077 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -117.45 167.49 11.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.419 ' HB3' ' NH1' ' A' ' 104' ' ' ARG . 14.7 ttm105 -78.87 105.77 10.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -96.35 120.25 36.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.513 HG22 ' HB2' ' A' ' 109' ' ' LYS . 19.4 m -132.74 149.27 31.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.139 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -42.08 97.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 106.76 23.12 7.29 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.484 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.754 ' O ' HD12 ' A' ' 69' ' ' LEU . 17.8 tptt -104.91 141.02 37.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.747 0.308 . . . . 0.0 110.943 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -128.67 121.45 28.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.477 ' CD1' ' HG3' ' A' ' 109' ' ' LYS . 93.1 m95 -135.75 132.24 36.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 176.26 -152.5 12.83 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.521 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -117.32 152.09 35.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.936 0.398 . . . . 0.0 110.863 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 34.0 tttt -80.08 -54.85 5.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.933 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 45.9 mttt -104.44 96.92 6.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.882 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.468 ' CD2' HG22 ' A' ' 117' ' ' ILE . 14.4 t80 -80.09 -52.47 7.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.625 HG21 HD11 ' A' ' 86' ' ' ILE . 2.2 tt -169.18 146.54 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.146 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 17.0 mtt85 -59.2 115.81 3.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.548 ' HA ' HD13 ' A' ' 122' ' ' LEU . 33.4 mtp180 -48.06 -43.39 30.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -49.22 -40.4 33.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.475 ' CD2' ' ND2' ' A' ' 127' ' ' ASN . 10.6 t80 -62.91 -33.12 74.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.929 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.56 ' HA ' HD12 ' A' ' 129' ' ' LEU . 6.7 mp -70.7 -56.49 6.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.918 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.624 HD22 ' H ' ' A' ' 123' ' ' LEU . 2.2 mm? -70.99 0.46 7.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -77.45 119.75 21.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -68.19 -34.53 76.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -51.58 -30.0 19.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.051 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' ASN . . . . . 0.475 ' ND2' ' CD2' ' A' ' 121' ' ' PHE . 57.4 m-20 -89.07 -34.46 16.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' GLY . . . . . 0.401 ' O ' ' N ' ' A' ' 130' ' ' LEU . . . 82.3 -5.72 71.35 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.457 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.597 ' O ' HD23 ' A' ' 130' ' ' LEU . 31.2 mt -39.49 -29.5 0.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.841 0.353 . . . . 0.0 110.896 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.597 HD23 ' O ' ' A' ' 129' ' ' LEU . 13.5 mt -130.45 87.13 51.27 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.61 0.719 . . . . 0.0 110.908 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -25.01 29.15 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.645 2.23 . . . . 0.0 112.378 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -134.46 26.75 3.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 20' ' ' ASN . 4.2 m-20 65.98 36.62 5.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.879 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -122.73 120.72 34.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 68.5 tp -92.63 100.85 13.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' THR . . . . . 0.524 HG23 ' HG2' ' A' ' 15' ' ' MET . 97.1 m -85.91 95.43 9.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.128 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 10.9 mt -89.98 110.4 21.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' PHE . . . . . 0.541 ' CE1' ' HB2' ' A' ' 13' ' ' SER . 7.9 t80 -92.42 108.2 19.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.953 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 139' ' ' CYS . . . . . 0.458 ' CB ' HD11 ' A' ' 49' ' ' LEU . 48.9 t -108.4 145.21 34.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -131.32 125.79 33.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 45.3 t -114.53 134.92 56.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.111 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 2.9 m -125.28 112.31 16.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.842 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.408 ' O ' HG23 ' A' ' 9' ' ' VAL . 96.4 t -86.86 121.4 37.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.145 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 144' ' ' VAL . 28.0 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.16 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.5 p . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.861 0.363 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 84.3 t -100.77 113.39 36.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.077 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.66 151.2 39.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.4 p90 -137.68 146.39 43.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.483 ' HB2' ' CE1' ' A' ' 138' ' ' PHE . 88.9 p -110.42 128.48 55.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.686 ' CD2' ' CD1' ' A' ' 37' ' ' PHE . 38.5 t80 -125.65 108.0 11.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.939 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 26.6 ttm -87.73 121.13 29.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.884 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.451 ' CE3' ' HB3' ' A' ' 34' ' ' SER . 11.4 t90 -116.79 101.49 8.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 98.8 m -92.47 121.54 34.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.18 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 34.3 mt -100.37 98.77 7.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.185 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.441 ' O ' ' CG ' ' A' ' 20' ' ' ASN . 0.4 OUTLIER -58.9 148.06 31.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.516 ' O ' ' ND2' ' A' ' 20' ' ' ASN . 0.6 OUTLIER 47.16 46.87 16.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -57.33 -25.99 60.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 40.7 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 -179.79 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.867 0.365 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 12.6 p -135.72 145.21 31.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.129 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 60.1 mt -96.5 105.94 17.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.107 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.7 mtmm -89.27 125.72 35.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.451 ' HB3' ' CE3' ' A' ' 16' ' ' TRP . 36.5 p -83.63 173.88 11.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.9 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 77.6 p -60.2 169.93 1.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 44.7 p -93.16 125.81 37.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.098 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.686 ' CD1' ' CD2' ' A' ' 14' ' ' TYR . 9.0 p90 -121.67 148.65 44.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.5 p . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 -179.785 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.808 0.337 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.711 HD21 ' HZ2' ' A' ' 47' ' ' TRP . 22.8 tp -62.81 121.8 14.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -111.89 168.88 9.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.927 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.711 ' HZ2' HD21 ' A' ' 45' ' ' LEU . 77.8 m95 -148.04 149.95 33.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.475 ' SG ' HD23 ' A' ' 69' ' ' LEU . 21.4 p -142.12 144.32 33.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.859 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 14.4 mt -103.79 133.79 48.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 20.0 mtt180 -107.72 106.18 16.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.83 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.735 HG22 HD13 ' A' ' 66' ' ' LEU . 52.4 t -106.97 143.6 17.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.511 ' ND2' ' O ' ' A' ' 65' ' ' SER . 0.0 OUTLIER -134.13 102.63 11.95 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.643 0.735 . . . . 0.0 110.899 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.614 ' HA ' HD12 ' A' ' 64' ' ' LEU . 53.7 Cg_endo -69.72 -30.86 21.79 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.714 2.276 . . . . 0.0 112.364 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.7 ttmm -100.6 31.96 3.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 43.1 -161.06 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 21.7 mt -121.42 -44.62 2.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.812 0.339 . . . . 0.0 110.915 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -135.02 163.31 30.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -52.07 -19.51 1.94 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -69.67 -46.31 66.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 92.1 p -120.95 46.26 2.07 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.9 ptmm? -88.29 -33.62 17.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.599 ' OD1' ' CD2' ' A' ' 63' ' ' TYR . 0.5 OUTLIER -69.69 -42.51 73.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 179.893 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.599 ' CD2' ' OD1' ' A' ' 62' ' ' ASP . 1.0 OUTLIER -91.09 168.46 11.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 -179.838 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.614 HD12 ' HA ' ' A' ' 53' ' ' PRO . 4.0 tp -89.63 150.14 22.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.92 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.511 ' O ' ' ND2' ' A' ' 52' ' ' ASN . 9.3 t -114.41 102.76 10.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.735 HD13 HG22 ' A' ' 51' ' ' VAL . 57.2 tp -108.8 133.68 52.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -143.05 142.76 31.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 56.4 tp -97.44 102.74 14.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.608 HD12 ' O ' ' A' ' 109' ' ' LYS . 7.2 tp -94.48 138.23 32.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.759 HD21 ' HB3' ' A' ' 73' ' ' CYS . 28.4 tp -86.86 83.36 7.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.666 HG13 ' H ' ' A' ' 72' ' ' SER . 0.6 OUTLIER -36.86 -64.71 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.176 179.815 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.666 ' H ' HG13 ' A' ' 71' ' ' VAL . 22.3 t -147.53 144.77 28.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.759 ' HB3' HD21 ' A' ' 70' ' ' LEU . 29.8 p -134.39 142.98 44.91 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.599 0.714 . . . . 0.0 110.898 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -37.07 9.65 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.701 2.268 . . . . 0.0 112.343 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.1 pttm -107.97 155.74 19.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 73.9 m -38.55 -71.44 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.81 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -117.34 154.3 31.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.3 p -141.75 130.85 23.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.153 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.886 ' O ' HG22 ' A' ' 144' ' ' VAL . 33.0 mtp85 -99.24 133.02 44.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -160.7 161.37 32.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.098 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.509 ' HG3' ' HB2' ' A' ' 102' ' ' ALA . 61.5 mttm -104.5 133.51 49.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.942 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -114.83 145.42 42.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.421 ' CG ' ' HG2' ' A' ' 98' ' ' GLU . 5.1 tmmm? -144.57 124.2 13.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.4 ' CG ' HD23 ' A' ' 66' ' ' LEU . 22.2 m-85 -103.64 147.91 26.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 91.3 p -158.88 158.04 32.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.459 HD11 ' CE2' ' A' ' 116' ' ' PHE . 23.3 mt -120.17 132.68 69.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.089 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.6 mt -94.49 106.73 18.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.632 ' ND2' ' H ' ' A' ' 92' ' ' GLU . 0.5 OUTLIER -60.31 -174.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.899 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.83 -35.43 61.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.09 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.05 15.59 2.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.72 23.93 46.19 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.513 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.632 ' H ' ' ND2' ' A' ' 88' ' ' ASN . 21.3 mt-10 -104.3 137.34 42.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.839 0.352 . . . . 0.0 110.893 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -54.26 140.86 31.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.442 HG21 HD11 ' A' ' 129' ' ' LEU . 5.9 t -160.32 143.95 13.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.589 ' HE3' ' CZ ' ' A' ' 121' ' ' PHE . 28.4 mmtt 55.97 45.7 23.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -90.66 158.54 16.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.058 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.408 ' HE3' ' CG ' ' A' ' 113' ' ' PHE . 13.0 mtm -133.55 115.11 14.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.421 ' HG2' ' CG ' ' A' ' 83' ' ' LYS . 22.2 mt-10 -91.25 169.7 10.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.916 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 45.2 t -115.01 151.28 34.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.827 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -59.36 -56.33 23.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 56.9 mtt180 -150.78 175.46 11.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.509 ' HB2' ' HG3' ' A' ' 81' ' ' LYS . . . -65.9 155.26 36.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.114 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -121.94 169.17 11.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.945 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 5.8 ttp-105 -83.8 101.86 11.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -95.3 123.9 39.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.57 ' C ' HD23 ' A' ' 70' ' ' LEU . 19.7 m -128.3 161.18 37.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.161 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -49.71 107.93 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 91.12 23.14 30.5 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.501 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.608 ' O ' HD12 ' A' ' 69' ' ' LEU . 9.0 tptt -98.34 146.98 25.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.816 0.341 . . . . 0.0 110.846 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -130.51 127.61 39.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 88.6 m95 -142.0 132.96 25.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.961 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 173.25 -145.6 8.45 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.498 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.408 ' CG ' ' HE3' ' A' ' 97' ' ' MET . 7.0 m-85 -127.69 152.4 47.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.879 0.371 . . . . 0.0 110.897 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 23.5 tttp -79.62 -56.45 4.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.487 ' HG2' ' CD2' ' A' ' 63' ' ' TYR . 0.2 OUTLIER -98.34 99.94 11.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.921 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.459 ' CE2' HD11 ' A' ' 86' ' ' ILE . 14.4 t80 -86.45 -50.82 6.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.612 HG21 HD21 ' A' ' 122' ' ' LEU . 5.4 tp -167.26 151.3 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.499 ' N ' HG13 ' A' ' 117' ' ' ILE . 15.8 mtm180 -67.34 110.43 3.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.593 ' HA ' HD12 ' A' ' 122' ' ' LEU . 19.0 ttp85 -42.66 -42.12 3.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.62 -35.97 75.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.589 ' CZ ' ' HE3' ' A' ' 95' ' ' LYS . 57.3 t80 -66.79 -26.33 66.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.612 HD21 HG21 ' A' ' 117' ' ' ILE . 13.7 mt -72.4 -46.89 53.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.898 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.83 HD13 HD12 ' A' ' 130' ' ' LEU . 3.1 mm? -74.64 -38.81 62.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.454 ' C ' ' O ' ' A' ' 123' ' ' LEU . 28.6 m-20 -33.78 139.33 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -77.77 -33.39 52.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -47.66 -44.62 27.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.082 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' ASN . . . . . 0.472 ' HB2' ' CD2' ' A' ' 129' ' ' LEU . 22.2 m-80 -88.57 -46.42 9.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 71.45 40.46 59.94 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.504 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.517 HD21 ' CE1' ' A' ' 121' ' ' PHE . 2.7 mm? -61.54 -24.0 66.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.87 0.367 . . . . 0.0 110.939 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.83 HD12 HD13 ' A' ' 123' ' ' LEU . 2.2 mt -126.91 86.77 58.09 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.638 0.733 . . . . 0.0 110.902 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -30.87 21.52 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.712 2.274 . . . . 0.0 112.323 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -120.42 27.87 8.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.829 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 61.73 25.35 15.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 1.5 ptpt -123.88 124.35 42.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 31.8 tp -88.75 115.75 26.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.938 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 62.9 m -97.82 102.08 13.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.091 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 5.2 mt -96.45 116.26 28.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' PHE . . . . . 0.483 ' CE1' ' HB2' ' A' ' 13' ' ' SER . 5.9 t80 -102.6 110.15 21.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 49.4 t -112.26 151.88 29.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -134.9 120.14 18.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 48.0 t -111.06 122.04 64.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.181 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 19.3 m -108.25 110.15 21.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 59.7 t -83.9 124.78 39.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.886 HG22 ' O ' ' A' ' 79' ' ' ARG . 21.8 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.117 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.9 0.381 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 82.4 t -100.59 103.49 14.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.099 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.82 162.46 17.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.831 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 13.8 p90 -154.88 144.0 21.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.404 ' HB2' ' CE1' ' A' ' 138' ' ' PHE . 78.5 p -109.99 125.85 53.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.57 ' HB2' ' CD2' ' A' ' 37' ' ' PHE . 45.3 t80 -115.04 110.91 20.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 31.6 ttm -85.57 117.71 24.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.878 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.444 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 7.8 t90 -112.37 101.31 9.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.944 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 96.0 m -98.24 112.49 24.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.147 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.425 ' CG1' ' NE1' ' A' ' 16' ' ' TRP . 29.4 mt -95.94 99.74 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -61.56 138.59 58.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 133' ' ' ASP . 74.9 m-80 56.75 51.54 10.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -54.71 -14.15 1.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.0 t . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.814 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.879 0.371 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.413 HG21 ' HB3' ' A' ' 50' ' ' ARG . 14.4 p -156.06 141.65 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 46.4 mt -89.01 104.93 15.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.151 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.8 mtmt -90.89 111.76 23.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.2 p -74.06 171.12 14.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.872 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.4 m -59.21 -176.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 20.3 p -99.15 127.84 45.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.135 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.57 ' CD2' ' HB2' ' A' ' 14' ' ' TYR . 30.5 p90 -131.0 141.58 50.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.859 -179.852 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.825 0.345 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.753 HD23 ' N ' ' A' ' 46' ' ' LYS . 3.0 tt -74.48 137.54 42.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.753 ' N ' HD23 ' A' ' 45' ' ' LEU . 31.9 mmtm -127.55 166.54 17.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.708 ' NE1' HD22 ' A' ' 45' ' ' LEU . 72.6 m95 -145.36 139.74 27.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 24.7 p -128.71 165.45 20.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.93 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.462 HD11 ' CB ' ' A' ' 139' ' ' CYS . 20.5 mt -121.3 132.12 54.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.413 ' HB3' HG21 ' A' ' 31' ' ' VAL . 47.7 mtt180 -109.38 106.07 15.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.848 HG13 HD11 ' A' ' 64' ' ' LEU . 42.9 t -107.68 132.7 54.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.089 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.572 ' O ' HD22 ' A' ' 64' ' ' LEU . 0.7 OUTLIER -121.13 101.82 44.16 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.583 0.706 . . . . 0.0 110.861 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.502 ' HA ' ' CD2' ' A' ' 64' ' ' LEU . 54.2 Cg_endo -69.73 -19.53 36.16 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.73 2.287 . . . . 0.0 112.318 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.1 mttt -106.89 -4.14 19.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 72.94 150.08 1.22 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 81.5 mt -61.97 -59.78 4.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.845 0.355 . . . . 0.0 110.911 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -117.28 169.91 9.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -57.37 -13.49 3.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -64.01 -49.16 73.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 84.8 p -116.32 45.91 1.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.83 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.9 ptmm? -77.71 -31.55 52.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.941 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -87.23 -13.29 44.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.413 ' CE2' ' HG3' ' A' ' 118' ' ' ARG . 10.2 m-85 -107.63 164.93 11.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.848 HD11 HG13 ' A' ' 51' ' ' VAL . 2.2 tm? -94.77 125.23 39.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 t -99.92 113.25 25.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.717 ' HG ' HG22 ' A' ' 51' ' ' VAL . 4.2 tt -125.83 113.9 17.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.944 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -118.5 161.39 20.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.535 ' C ' HD13 ' A' ' 68' ' ' LEU . 1.9 tm? -104.65 100.91 10.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.965 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.407 HD12 ' O ' ' A' ' 109' ' ' LYS . 6.3 tp -94.97 143.13 26.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.849 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.824 HD21 ' HB3' ' A' ' 73' ' ' CYS . 60.0 tp -92.23 89.92 7.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.878 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.583 HG22 ' N ' ' A' ' 72' ' ' SER . 0.1 OUTLIER -42.78 -66.45 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.858 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.583 ' N ' HG22 ' A' ' 71' ' ' VAL . 40.6 t -143.81 141.59 30.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.824 ' HB3' HD21 ' A' ' 70' ' ' LEU . 5.2 p -143.09 129.28 10.38 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.565 0.698 . . . . 0.0 110.876 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -43.71 2.52 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.688 2.259 . . . . 0.0 112.373 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.847 ' HE3' HG13 ' A' ' 78' ' ' VAL . 1.1 pttt -81.69 144.53 31.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 75' ' ' LYS . 36.1 m -33.98 -52.64 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.827 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.472 ' CG ' ' HD2' ' A' ' 104' ' ' ARG . 7.7 pt-20 -137.74 175.75 9.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.838 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.847 HG13 ' HE3' ' A' ' 75' ' ' LYS . 1.9 t -148.27 129.77 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.106 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.539 ' O ' HG22 ' A' ' 144' ' ' VAL . 5.6 mtt-85 -107.6 108.99 20.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -142.25 173.84 11.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.1 mttm -119.19 127.05 52.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.595 ' CD1' ' CZ ' ' A' ' 84' ' ' PHE . 53.0 p90 -107.55 146.56 31.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.432 ' HD3' ' HB1' ' A' ' 96' ' ' ALA . 2.7 tmmm? -139.32 123.1 17.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.955 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.595 ' CZ ' ' CD1' ' A' ' 82' ' ' PHE . 6.7 m-85 -107.32 138.25 43.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.895 ' OG ' ' HB2' ' A' ' 96' ' ' ALA . 1.4 t -150.51 179.34 8.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 -179.722 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.54 ' O ' HG22 ' A' ' 94' ' ' THR . 17.1 mt -138.03 134.17 44.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.132 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.0 mt -93.48 107.43 19.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.914 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.416 ' OD1' ' N ' ' A' ' 90' ' ' LYS . 42.3 p30 -62.04 -176.51 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.92 -27.31 51.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.162 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.448 ' HD2' ' N ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -91.33 13.72 16.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.15 32.16 59.73 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.491 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -109.88 121.33 44.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.782 0.325 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -42.98 135.58 3.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.54 HG22 ' O ' ' A' ' 86' ' ' ILE . 5.8 t -151.23 148.31 28.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.52 ' HE2' ' CE2' ' A' ' 121' ' ' PHE . 32.0 mmtm 55.12 41.41 31.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.895 ' HB2' ' OG ' ' A' ' 85' ' ' SER . . . -84.26 154.33 23.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 7.6 mtm -143.68 114.71 7.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -111.9 170.86 7.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 6.7 t -116.13 141.82 47.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.849 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -56.78 -68.69 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -101.64 170.27 8.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -79.67 163.74 24.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -121.02 153.65 37.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.472 ' HD2' ' CG ' ' A' ' 77' ' ' GLU . 7.6 tpp180 -74.42 130.47 39.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.886 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.699 ' HB3' HD22 ' A' ' 70' ' ' LEU . 23.4 m-85 -120.3 136.12 54.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.64 HG22 ' HB2' ' A' ' 109' ' ' LYS . 17.5 m -142.87 144.59 24.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.123 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -38.85 92.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 106' ' ' VAL . . . 111.59 21.38 6.5 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.64 ' HB2' HG22 ' A' ' 106' ' ' VAL . 26.3 tptt -106.21 145.67 31.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.775 0.321 . . . . 0.0 110.911 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -135.91 125.34 24.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -132.68 135.71 45.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.492 ' HA2' ' CZ ' ' A' ' 82' ' ' PHE . . . 172.11 -149.34 11.67 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.47 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -123.18 155.02 37.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.913 0.387 . . . . 0.0 110.892 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 26.9 tttt -81.92 -55.28 4.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 40.5 mttt -101.37 93.56 5.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.902 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -81.92 -48.62 11.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.587 ' CG2' HD11 ' A' ' 122' ' ' LEU . 8.0 tp -163.73 152.58 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.172 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.478 ' N ' HG13 ' A' ' 117' ' ' ILE . 26.5 mtm180 -72.92 112.13 8.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.512 ' HA ' HD13 ' A' ' 122' ' ' LEU . 14.7 ttp180 -48.13 -35.64 11.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.94 -33.27 75.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.52 ' CE2' ' HE2' ' A' ' 95' ' ' LYS . 83.5 t80 -66.87 -35.33 79.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.587 HD11 ' CG2' ' A' ' 117' ' ' ILE . 5.9 mp -65.9 -67.61 0.43 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.6 mt -51.45 -18.28 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -49.2 161.11 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -98.46 -33.85 10.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -56.07 -38.51 70.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.126 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' ASN . . . . . 0.485 ' HB2' ' CD2' ' A' ' 129' ' ' LEU . 12.0 m-20 -92.27 -38.45 12.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 61.87 43.53 99.08 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.503 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.706 ' O ' HD23 ' A' ' 130' ' ' LEU . 1.9 mm? -61.81 -12.9 19.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.807 0.337 . . . . 0.0 110.92 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.706 HD23 ' O ' ' A' ' 129' ' ' LEU . 2.7 mt -133.79 89.21 30.81 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.578 0.704 . . . . 0.0 110.904 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 130' ' ' LEU . 53.2 Cg_endo -69.82 -34.37 14.51 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.681 2.254 . . . . 0.0 112.331 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -120.7 26.5 9.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 20' ' ' ASN . 5.6 m-20 65.13 32.41 10.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 4.6 ptpt -127.77 138.77 52.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.406 HD13 HD23 ' A' ' 122' ' ' LEU . 50.2 tp -101.07 95.9 6.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.934 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 90.2 m -78.66 96.4 5.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.15 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 13.2 mt -89.99 112.27 23.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' PHE . . . . . 0.404 ' CE1' ' HB2' ' A' ' 13' ' ' SER . 15.1 t80 -97.94 105.36 17.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 139' ' ' CYS . . . . . 0.462 ' CB ' HD11 ' A' ' 49' ' ' LEU . 49.7 t -103.68 147.13 27.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -135.76 113.48 10.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 15.6 t -110.15 135.17 50.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 19.9 m -122.67 107.41 11.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.854 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 93.5 t -84.39 128.82 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 144' ' ' VAL . 12.8 m . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.169 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.659 HG13 ' HE2' ' A' ' 11' ' ' LYS . 2.7 p . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.857 0.361 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.58 ' N ' HG22 ' A' ' 9' ' ' VAL . 55.9 t -120.66 97.6 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.097 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.659 ' HE2' HG13 ' A' ' 9' ' ' VAL . 11.4 mtmt -104.03 170.79 7.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.559 ' CZ ' ' HB ' ' A' ' 141' ' ' VAL . 25.9 p90 -169.32 133.69 1.41 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 89.1 p -109.01 141.17 41.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -131.15 110.01 10.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 33.8 ttm -85.95 117.73 24.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.88 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.704 ' CZ2' HD11 ' A' ' 18' ' ' ILE . 8.6 t90 -115.93 98.7 6.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.954 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 99.1 m -91.43 107.69 19.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.17 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.704 HD11 ' CZ2' ' A' ' 16' ' ' TRP . 21.5 mt -87.73 99.51 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.089 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.565 ' ND2' ' H ' ' A' ' 19' ' ' ASN . 0.3 OUTLIER -65.88 130.42 43.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.855 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.436 ' OD1' ' N ' ' A' ' 20' ' ' ASN . 0.4 OUTLIER 67.5 52.13 0.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.459 ' CE1' ' HB3' ' A' ' 53' ' ' PRO . 54.5 t80 -69.12 -44.11 73.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.9 t . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 -179.81 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.94 0.4 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.0 p -123.72 141.94 42.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.131 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 85.1 mt -92.25 101.87 13.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.5 mttm -84.56 116.62 23.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 83.4 p -76.23 169.25 18.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.829 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.7 m -60.79 170.97 1.29 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.868 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 73.0 p -86.39 123.99 32.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.183 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -116.33 156.11 27.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.5 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.841 -179.792 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.793 0.33 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.667 HD22 ' NE1' ' A' ' 47' ' ' TRP . 1.7 tt -71.33 120.64 17.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 36.5 mmtm -115.44 162.0 17.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.667 ' NE1' HD22 ' A' ' 45' ' ' LEU . 77.2 m95 -139.12 157.4 46.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.954 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.447 ' SG ' HD23 ' A' ' 69' ' ' LEU . 1.9 p -143.03 148.93 37.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 49' ' ' LEU . 11.6 mt -107.72 132.64 53.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 40.1 mtp180 -111.04 103.72 12.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.502 HG13 HD21 ' A' ' 64' ' ' LEU . 61.3 t -107.29 135.89 44.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -122.06 102.2 40.86 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.63 0.729 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.596 ' HA ' HD12 ' A' ' 64' ' ' LEU . 53.8 Cg_endo -69.7 -15.88 37.54 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.717 2.278 . . . . 0.0 112.321 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.7 mttm -116.25 25.32 10.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.914 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 50.11 -156.97 2.01 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.481 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.4 mt -125.12 -44.94 1.88 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.782 0.325 . . . . 0.0 110.91 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.453 ' OD2' ' CE ' ' A' ' 114' ' ' LYS . 0.1 OUTLIER -127.64 161.43 28.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.831 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -48.42 -30.94 5.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.937 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -62.71 -60.96 2.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.401 ' CB ' ' HD3' ' A' ' 115' ' ' LYS . 92.5 p -93.03 39.88 1.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.888 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.408 ' CG ' ' N ' ' A' ' 62' ' ' ASP . 13.5 ptmt -85.88 -43.71 13.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.408 ' N ' ' CG ' ' A' ' 61' ' ' LYS . 14.7 t0 -66.42 -23.83 66.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.837 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.581 ' CE2' ' HG3' ' A' ' 118' ' ' ARG . 2.3 m-85 -106.5 167.29 9.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.596 HD12 ' HA ' ' A' ' 53' ' ' PRO . 4.3 tp -90.57 141.08 29.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.916 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.3 t -109.16 99.3 8.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.667 HD22 ' CE2' ' A' ' 84' ' ' PHE . 6.5 tt -108.45 139.14 43.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.914 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.507 ' N ' HD23 ' A' ' 66' ' ' LEU . 41.7 m-85 -143.77 144.63 31.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' A' ' 82' ' ' PHE . 20.9 tp -98.52 109.71 22.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.928 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.831 HD12 ' O ' ' A' ' 109' ' ' LYS . 6.0 tp -100.36 148.19 24.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.937 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.736 HD22 ' HB3' ' A' ' 105' ' ' PHE . 53.9 tp -95.46 88.12 4.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.653 HG13 ' H ' ' A' ' 72' ' ' SER . 0.8 OUTLIER -43.27 -61.67 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.81 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.653 ' H ' HG13 ' A' ' 71' ' ' VAL . 9.4 m -144.94 150.98 37.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.714 ' HB3' HD21 ' A' ' 70' ' ' LEU . 16.7 p -151.66 136.99 10.77 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.617 0.722 . . . . 0.0 110.88 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -51.14 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.719 2.279 . . . . 0.0 112.299 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.817 ' HE2' HG13 ' A' ' 78' ' ' VAL . 15.0 pttm -83.35 149.48 26.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 75' ' ' LYS . 33.3 t -34.12 -54.61 0.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.401 ' HA ' ' O ' ' A' ' 105' ' ' PHE . 5.5 pt-20 -134.74 170.88 15.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.901 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.817 HG13 ' HE2' ' A' ' 75' ' ' LYS . 2.3 t -139.39 131.24 35.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -106.42 109.11 20.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -146.4 158.87 43.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.137 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.521 ' HG3' ' HB2' ' A' ' 102' ' ' ALA . 56.1 mttt -106.7 121.87 45.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.466 ' HB3' ' CD2' ' A' ' 68' ' ' LEU . 53.8 p90 -105.94 153.54 21.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.861 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.34 126.17 14.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.667 ' CE2' HD22 ' A' ' 66' ' ' LEU . 21.8 m-85 -99.46 145.27 27.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.503 ' CB ' ' HB2' ' A' ' 96' ' ' ALA . 89.0 p -158.99 154.9 26.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.816 HD11 HG21 ' A' ' 117' ' ' ILE . 43.7 mt -114.82 130.31 69.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.162 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.4 mt -94.16 108.02 19.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.449 ' C ' ' OD1' ' A' ' 88' ' ' ASN . 25.1 p30 -56.4 179.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -52.02 -33.18 37.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.079 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.437 ' HD2' ' N ' ' A' ' 90' ' ' LYS . 1.1 mptp? -85.4 17.84 2.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 55.85 23.73 38.83 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.53 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -97.9 139.84 33.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.874 0.369 . . . . 0.0 110.859 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -60.55 136.9 58.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.9 t -162.58 137.52 6.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.161 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.58 ' HE3' ' CE2' ' A' ' 121' ' ' PHE . 23.4 mmtt 63.7 48.7 3.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.503 ' HB2' ' CB ' ' A' ' 85' ' ' SER . . . -101.06 144.41 30.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.074 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.437 ' CE ' ' CG ' ' A' ' 113' ' ' PHE . 9.0 mtm -117.19 125.07 50.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -96.46 164.02 12.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.1 t -113.83 152.88 30.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -62.48 -66.41 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 24.6 mtp180 -137.72 176.51 8.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.521 ' HB2' ' HG3' ' A' ' 81' ' ' LYS . . . -64.7 158.12 25.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.098 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -123.64 165.4 17.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.438 ' CZ ' HG11 ' A' ' 106' ' ' VAL . 61.0 ttt-85 -80.99 121.62 26.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.736 ' HB3' HD22 ' A' ' 70' ' ' LEU . 7.9 m-85 -113.11 120.96 43.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.847 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.598 HG22 ' HB2' ' A' ' 109' ' ' LYS . 15.9 m -130.93 143.49 40.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.146 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -39.91 95.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 106' ' ' VAL . . . 109.8 23.89 6.02 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.488 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.831 ' O ' HD12 ' A' ' 69' ' ' LEU . 17.9 tptt -106.64 153.27 22.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.749 0.309 . . . . 0.0 110.91 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -139.45 125.05 19.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -137.24 127.92 27.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.972 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -175.58 -143.95 4.82 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.502 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.437 ' CG ' ' CE ' ' A' ' 97' ' ' MET . 15.1 m-85 -133.0 151.37 52.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.944 0.402 . . . . 0.0 110.854 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.453 ' CE ' ' OD2' ' A' ' 57' ' ' ASP . 21.9 tttp -78.78 -53.84 6.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.851 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.401 ' HD3' ' CB ' ' A' ' 60' ' ' SER . 12.2 mmtp -101.88 96.4 7.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.656 ' CD2' HG22 ' A' ' 117' ' ' ILE . 27.6 t80 -85.05 -49.21 8.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.816 HG21 HD11 ' A' ' 86' ' ' ILE . 1.0 OUTLIER -171.41 144.09 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.581 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 62.6 mtt180 -57.49 110.9 0.95 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.429 ' HA ' HD13 ' A' ' 122' ' ' LEU . 19.8 ttp180 -45.43 -36.25 4.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -57.36 -42.92 82.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.58 ' CE2' ' HE3' ' A' ' 95' ' ' LYS . 46.0 t80 -54.1 -41.12 67.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.429 HD13 ' HA ' ' A' ' 119' ' ' ARG . 8.9 mp -58.95 -61.96 2.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.948 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.475 ' N ' ' CD1' ' A' ' 123' ' ' LEU . 3.2 mp -60.84 -32.23 71.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.514 ' OD2' ' HB3' ' A' ' 126' ' ' ALA . 20.9 t70 -39.62 149.24 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.836 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -93.12 -38.14 11.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.514 ' HB3' ' OD2' ' A' ' 124' ' ' ASP . . . -47.25 -35.35 7.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.047 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' ASN . . . . . 0.55 ' CG ' ' CZ ' ' A' ' 121' ' ' PHE . 60.8 m-80 -95.05 -45.07 7.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 71.7 47.58 32.76 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.461 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.54 ' CD2' ' CB ' ' A' ' 127' ' ' ASN . 4.0 mm? -68.09 -17.88 64.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.861 0.363 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.437 HD21 HD23 ' A' ' 135' ' ' LEU . 3.0 mt -134.41 95.52 16.23 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.576 0.703 . . . . 0.0 110.917 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -32.73 18.23 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.699 2.266 . . . . 0.0 112.321 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -128.6 28.23 5.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 20' ' ' ASN . 36.0 m-20 67.62 26.82 7.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -110.11 119.6 39.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.649 HD11 ' HG ' ' A' ' 137' ' ' LEU . 2.1 tm? -88.23 101.02 13.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.921 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 29.0 m -90.89 96.63 10.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.649 ' HG ' HD11 ' A' ' 135' ' ' LEU . 5.0 mt -94.34 110.63 22.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.936 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -94.17 116.82 29.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 51.4 t -114.55 150.55 34.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -136.01 117.66 14.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.559 ' HB ' ' CZ ' ' A' ' 12' ' ' PHE . 31.5 t -113.37 136.59 49.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.086 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 142' ' ' SER . . . . . 0.503 ' CB ' ' HG2' ' A' ' 11' ' ' LYS . 1.2 m -118.78 105.2 11.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.83 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 54.9 t -84.41 127.76 39.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 144' ' ' VAL . 9.4 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.109 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.903 0.382 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 56.4 t -112.78 107.69 23.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.22 153.75 35.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -142.24 143.98 33.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.556 ' HB2' ' CZ ' ' A' ' 138' ' ' PHE . 90.3 p -108.12 133.05 52.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.837 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -127.26 109.44 11.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.907 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.46 ' HG2' HG23 ' A' ' 136' ' ' THR . 31.7 ttm -85.47 118.46 25.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.486 ' CZ3' HG23 ' A' ' 51' ' ' VAL . 10.2 t90 -112.27 101.37 9.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.4 m -95.2 118.1 31.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.165 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.4 HD11 ' CZ2' ' A' ' 16' ' ' TRP . 31.4 mt -101.73 100.25 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -63.88 136.05 57.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.845 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 56.24 43.65 26.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -51.02 -16.84 0.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 84.0 p . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 -179.775 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.927 0.394 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.692 HG23 ' ND2' ' A' ' 52' ' ' ASN . 6.2 p -132.94 168.36 24.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.122 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.552 ' H ' HG22 ' A' ' 31' ' ' VAL . 56.8 mt -117.73 103.59 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.104 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.5 mtmm -89.01 125.12 34.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 99.1 p -89.17 175.43 7.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.7 m -63.0 -175.27 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.826 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.401 HG22 HG11 ' A' ' 71' ' ' VAL . 31.7 p -107.38 128.75 54.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.148 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.414 ' CD1' ' N ' ' A' ' 37' ' ' PHE . 4.9 p90 -128.7 150.62 50.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 67.6 p . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 -179.799 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.2 mmtt . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.783 0.325 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.65 HD21 ' HZ2' ' A' ' 47' ' ' TRP . 13.8 tp -61.23 124.7 21.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.924 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 34.1 mmtm -122.41 165.79 15.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.65 ' HZ2' HD21 ' A' ' 45' ' ' LEU . 54.2 m95 -143.62 150.7 39.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.6 t -140.78 153.23 45.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 49' ' ' LEU . 34.4 mt -111.09 143.57 41.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.558 ' NH1' HG11 ' A' ' 31' ' ' VAL . 36.0 mtp85 -116.49 110.39 18.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.486 HG23 ' CZ3' ' A' ' 16' ' ' TRP . 55.7 t -106.42 136.4 41.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.692 ' ND2' HG23 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -130.17 102.49 17.26 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.648 0.737 . . . . 0.0 110.862 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.613 ' HA ' HD12 ' A' ' 64' ' ' LEU . 53.8 Cg_endo -69.78 -38.12 8.18 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.69 2.26 . . . . 0.0 112.318 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.5 ttmm -88.02 -8.7 55.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 73.45 157.38 4.4 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.494 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.3 mt -69.47 -52.61 24.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.796 0.332 . . . . 0.0 110.896 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -130.91 171.03 13.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.7 mp0 -53.66 -17.5 2.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.434 ' CG ' ' HD3' ' A' ' 114' ' ' LYS . 5.2 tp10 -63.64 -41.07 98.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.459 ' HB3' ' CG ' ' A' ' 114' ' ' LYS . 8.9 p -119.28 47.85 1.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.878 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.6 ptmm? -85.58 -37.27 19.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -78.25 -34.06 49.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.437 ' CE2' ' HG3' ' A' ' 118' ' ' ARG . 1.4 m-85 -102.56 166.82 10.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.613 HD12 ' HA ' ' A' ' 53' ' ' PRO . 4.7 tp -89.48 153.9 20.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.9 t -117.15 99.35 6.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 17.9 tp -105.16 120.01 40.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.939 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -130.59 145.54 51.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 51.7 tp -99.76 110.11 22.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.552 HD12 ' O ' ' A' ' 109' ' ' LYS . 6.1 tp -100.87 139.75 36.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.865 HD21 ' HB3' ' A' ' 73' ' ' CYS . 28.8 tp -88.34 86.01 6.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.948 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.566 HG13 ' H ' ' A' ' 72' ' ' SER . 0.2 OUTLIER -41.27 -63.98 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 179.902 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.566 ' H ' HG13 ' A' ' 71' ' ' VAL . 41.0 t -145.12 142.15 29.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.865 ' HB3' HD21 ' A' ' 70' ' ' LEU . 11.1 p -138.13 135.64 18.73 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.59 0.71 . . . . 0.0 110.904 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.443 ' CD ' ' HB2' ' A' ' 45' ' ' LEU . 53.4 Cg_endo -69.78 -44.0 2.31 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.673 2.249 . . . . 0.0 112.344 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.888 ' HE3' HG13 ' A' ' 78' ' ' VAL . 3.1 pttt -90.43 149.22 22.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 75' ' ' LYS . 3.3 m -34.86 -54.42 0.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.795 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -136.05 168.18 19.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.888 HG13 ' HE3' ' A' ' 75' ' ' LYS . 2.0 t -140.04 130.15 29.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.107 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.772 ' O ' HG22 ' A' ' 144' ' ' VAL . 9.9 mtt180 -107.98 108.63 19.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -144.29 160.69 40.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.097 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.547 ' HG3' ' HB2' ' A' ' 102' ' ' ALA . 26.4 mttp -106.93 128.27 54.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -110.15 153.74 24.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.912 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.411 ' C ' ' HD2' ' A' ' 83' ' ' LYS . 4.9 tmmm? -145.87 125.73 13.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -101.02 140.63 35.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.907 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.421 ' CB ' ' HB2' ' A' ' 96' ' ' ALA . 89.8 p -155.54 149.55 25.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.814 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.658 HD11 HG21 ' A' ' 117' ' ' ILE . 24.0 mt -109.73 134.51 51.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.0 mt -98.12 106.94 19.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 48.1 p30 -57.82 -175.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.61 -32.24 65.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.12 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -86.15 16.34 4.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 58.42 25.81 58.43 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.467 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -100.5 143.9 30.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.854 0.359 . . . . 0.0 110.891 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -64.98 133.66 52.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.975 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.3 t -153.92 147.9 25.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.483 ' HE2' ' CE2' ' A' ' 121' ' ' PHE . 33.9 mmtt 49.84 49.26 20.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.421 ' HB2' ' CB ' ' A' ' 85' ' ' SER . . . -102.68 153.54 20.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.074 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 16.8 mtm -125.9 129.13 48.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -98.84 166.9 11.08 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.4 t -112.92 155.89 23.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 14.0 mp0 -76.15 -65.3 0.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.943 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 42.4 mtm180 -131.36 169.71 15.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.547 ' HB2' ' HG3' ' A' ' 81' ' ' LYS . . . -72.23 153.45 41.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.095 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -117.76 162.97 17.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 19.9 ttm180 -79.3 124.73 28.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.728 ' HB3' HD22 ' A' ' 70' ' ' LEU . 39.3 m-85 -113.4 125.93 54.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.938 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.524 HG22 ' HB2' ' A' ' 109' ' ' LYS . 11.3 m -134.47 142.4 40.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.168 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 106' ' ' VAL . 9.7 tt0 -36.14 93.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 106' ' ' VAL . . . 112.97 21.29 6.03 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.528 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.552 ' O ' HD12 ' A' ' 69' ' ' LEU . 23.1 tptt -105.38 150.68 25.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.749 0.309 . . . . 0.0 110.932 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -140.65 120.29 13.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 82.1 m95 -130.2 128.56 41.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -179.25 -146.88 6.94 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.501 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -126.89 149.41 49.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.923 0.392 . . . . 0.0 110.896 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.459 ' CG ' ' HB3' ' A' ' 60' ' ' SER . 12.8 ttmt -79.22 -52.88 7.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 65.4 mttt -100.96 99.87 10.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.533 ' CD2' HG22 ' A' ' 117' ' ' ILE . 14.5 t80 -85.47 -57.43 3.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.658 HG21 HD11 ' A' ' 86' ' ' ILE . 1.1 tt -166.83 145.51 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.14 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.457 ' N ' HG13 ' A' ' 117' ' ' ILE . 16.8 mtm180 -54.68 120.25 6.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.499 ' NH1' HD11 ' A' ' 123' ' ' LEU . 7.2 ttt-85 -57.33 -32.35 66.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -66.62 -25.83 66.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.483 ' CE2' ' HE2' ' A' ' 95' ' ' LYS . 44.8 t80 -72.44 -34.95 68.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.531 HD11 HG12 ' A' ' 117' ' ' ILE . 7.1 mp -69.16 -59.29 3.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.966 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.517 ' HA ' HD12 ' A' ' 130' ' ' LEU . 7.8 mt -59.52 -19.74 50.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -53.59 160.99 1.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -102.7 -33.72 9.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -45.28 -41.17 8.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.054 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' ASN . . . . . 0.464 ' CB ' HD13 ' A' ' 129' ' ' LEU . 16.1 m-80 -89.57 -42.36 11.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 78.9 15.83 80.02 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.466 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.464 HD13 ' CB ' ' A' ' 127' ' ' ASN . 0.7 OUTLIER -43.19 -25.49 0.12 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.824 0.345 . . . . 0.0 110.924 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.517 HD12 ' HA ' ' A' ' 123' ' ' LEU . 2.5 mt -126.43 82.07 66.8 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.608 0.718 . . . . 0.0 110.912 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -26.01 28.14 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.697 2.265 . . . . 0.0 112.343 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -124.13 25.21 7.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 62.95 30.19 16.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 8.7 ptpt -130.51 124.24 31.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 12.3 tp -91.13 123.04 34.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' THR . . . . . 0.46 HG23 ' HG2' ' A' ' 15' ' ' MET . 54.1 m -101.38 103.97 14.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.107 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 13.4 mt -94.65 112.97 24.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.94 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' PHE . . . . . 0.556 ' CZ ' ' HB2' ' A' ' 13' ' ' SER . 19.0 t80 -98.2 108.95 21.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 43.8 t -109.08 139.47 43.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -125.61 117.0 22.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 18.9 t -112.39 128.0 69.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.103 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 16.1 m -113.49 110.9 21.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 51.4 t -84.07 129.1 38.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.772 HG22 ' O ' ' A' ' 79' ' ' ARG . 22.6 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.139 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.8 p . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.9 0.381 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 83.4 t -100.55 106.34 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.112 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.418 ' HB3' ' CB ' ' A' ' 142' ' ' SER . 0.0 OUTLIER -122.3 160.06 26.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.907 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -146.23 145.06 30.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.847 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.483 ' HB2' ' CE1' ' A' ' 138' ' ' PHE . 96.3 p -109.33 127.3 54.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.818 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -122.33 111.17 16.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.914 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 34.3 ttm -87.86 116.85 26.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.881 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.611 ' CE2' ' CG1' ' A' ' 18' ' ' ILE . 7.2 t90 -110.98 103.47 11.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 94.9 m -92.23 107.63 19.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.183 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.611 ' CG1' ' CE2' ' A' ' 16' ' ' TRP . 43.7 mt -90.87 98.11 7.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.122 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.494 ' O ' ' ND2' ' A' ' 20' ' ' ASN . 0.5 OUTLIER -63.16 146.29 53.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.924 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 19' ' ' ASN . 0.7 OUTLIER 46.66 50.37 13.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 53' ' ' PRO . 29.6 t80 -58.54 -20.48 46.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.424 ' HB2' ' CD2' ' A' ' 123' ' ' LEU . 27.2 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.81 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.863 0.363 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.591 HG23 ' CG ' ' A' ' 52' ' ' ASN . 10.2 p -140.93 153.02 20.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.158 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 92.3 mt -92.84 104.13 15.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.092 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.6 mtmt -87.31 129.87 34.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.454 ' HB3' ' CZ3' ' A' ' 16' ' ' TRP . 91.5 p -93.14 176.2 6.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.832 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.1 m -67.22 169.7 8.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 44.7 p -89.73 121.63 32.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.174 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -117.09 152.97 33.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 78.5 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.825 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.8 mptt . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.837 0.351 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.659 HD21 ' HZ2' ' A' ' 47' ' ' TRP . 16.3 tp -69.32 116.79 10.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.5 mmtp -114.33 163.97 14.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.659 ' HZ2' HD21 ' A' ' 45' ' ' LEU . 58.4 m95 -141.28 154.89 45.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 26.9 t -143.62 151.1 39.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.403 HD22 HD11 ' A' ' 66' ' ' LEU . 56.2 mt -107.64 136.19 47.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.508 ' HB3' HG21 ' A' ' 31' ' ' VAL . 55.5 mtp180 -111.01 105.81 14.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.548 HG13 HD11 ' A' ' 64' ' ' LEU . 55.3 t -106.7 134.19 49.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.163 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.591 ' CG ' HG23 ' A' ' 31' ' ' VAL . 1.2 m120 -126.65 101.98 26.38 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.632 0.729 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.569 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 53.9 Cg_endo -69.78 -33.59 16.24 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.7 2.266 . . . . 0.0 112.342 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.3 mttm -91.81 -14.54 29.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.82 161.87 21.06 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.527 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.0 mt -72.99 -51.63 17.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.814 0.34 . . . . 0.0 110.931 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -130.28 167.04 19.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -53.31 -16.53 1.35 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 54.7 tt0 -69.51 -44.95 70.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.8 t -118.72 40.81 3.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -90.56 -38.99 12.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.938 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -67.64 -34.19 76.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.587 ' CD2' ' HG2' ' A' ' 115' ' ' LYS . 14.3 m-85 -95.59 168.74 10.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.548 HD11 HG13 ' A' ' 51' ' ' VAL . 2.0 tm? -93.35 123.06 36.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 t -95.63 122.02 37.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.814 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.403 HD11 HD22 ' A' ' 49' ' ' LEU . 8.7 tp -129.55 114.08 15.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.537 ' CE2' ' O ' ' A' ' 113' ' ' PHE . 35.0 m-85 -125.51 140.15 53.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 29.6 tp -90.96 114.39 26.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.571 HD12 ' O ' ' A' ' 109' ' ' LYS . 6.1 tp -102.68 140.13 37.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.578 HD21 ' HB3' ' A' ' 73' ' ' CYS . 20.2 tp -88.41 86.32 7.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.944 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.543 HG13 ' H ' ' A' ' 72' ' ' SER . 0.2 OUTLIER -41.52 -63.42 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.861 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.543 ' H ' HG13 ' A' ' 71' ' ' VAL . 4.4 t -147.55 149.05 31.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.901 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.578 ' HB3' HD21 ' A' ' 70' ' ' LEU . 25.8 p -141.02 141.76 25.14 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.617 0.722 . . . . 0.0 110.93 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.473 ' CD ' ' HB2' ' A' ' 45' ' ' LEU . 54.1 Cg_endo -69.75 -37.13 9.62 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.681 2.254 . . . . 0.0 112.379 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 12.7 pttm -107.08 153.9 21.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 33.0 m -39.92 -71.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.856 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -113.58 153.45 28.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.7 p -144.87 135.4 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.763 ' O ' HG22 ' A' ' 144' ' ' VAL . 35.9 mtp180 -102.44 133.94 46.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -160.32 152.15 20.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.092 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.616 ' HG3' ' HB2' ' A' ' 102' ' ' ALA . 63.2 mttt -101.84 131.17 48.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.431 ' CZ ' ' HA2' ' A' ' 112' ' ' GLY . 52.9 p90 -113.75 148.99 35.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.42 ' CG ' ' HG2' ' A' ' 98' ' ' GLU . 1.0 OUTLIER -142.33 118.15 10.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.87 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -98.02 143.68 28.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.838 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 80.8 p -156.27 162.6 40.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.508 HD11 ' CE2' ' A' ' 116' ' ' PHE . 26.6 mt -123.06 130.71 74.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.145 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.3 mt -94.44 110.28 22.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.456 ' OD1' ' N ' ' A' ' 90' ' ' LYS . 28.8 p30 -61.21 -176.86 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -54.75 -30.67 57.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.123 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.456 ' N ' ' OD1' ' A' ' 88' ' ' ASN . 1.7 mppt? -90.1 19.25 5.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 57.05 27.49 57.28 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -101.08 137.25 39.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.833 0.349 . . . . 0.0 110.916 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -62.93 134.24 55.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 8.8 t -152.86 147.72 26.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.147 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.422 ' HE2' ' CE2' ' A' ' 121' ' ' PHE . 30.4 mmtm 50.83 52.44 14.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.869 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -101.01 160.41 14.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.09 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.537 ' SD ' ' CG ' ' A' ' 113' ' ' PHE . 5.8 ptp -129.45 140.79 51.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.957 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.42 ' HG2' ' CG ' ' A' ' 83' ' ' LYS . 20.8 mt-10 -119.38 149.13 42.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.91 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.6 t -94.19 153.57 18.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -78.6 -56.76 4.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.884 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 21.4 tpt180 -138.66 137.82 37.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.884 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.616 ' HB2' ' HG3' ' A' ' 81' ' ' LYS . . . -47.74 146.19 2.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.065 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -106.35 166.63 10.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 31.0 ttp180 -81.45 100.38 9.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -90.41 137.74 32.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.574 HG22 ' HB2' ' A' ' 109' ' ' LYS . 11.9 m -142.22 157.46 19.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.156 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -46.94 106.27 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 92.41 25.93 19.67 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.476 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.574 ' HB2' HG22 ' A' ' 106' ' ' VAL . 17.7 tptt -102.67 151.24 22.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.815 0.34 . . . . 0.0 110.92 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -133.73 125.0 27.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 82.0 m95 -141.49 131.45 24.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.431 ' HA2' ' CZ ' ' A' ' 82' ' ' PHE . . . 173.83 -141.09 5.83 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.46 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.537 ' O ' ' CE2' ' A' ' 67' ' ' TYR . 2.3 m-85 -121.17 162.21 20.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.898 0.38 . . . . 0.0 110.898 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 50.9 tttt -93.61 -49.65 5.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.587 ' HG2' ' CD2' ' A' ' 63' ' ' TYR . 7.4 mptt -111.52 96.3 6.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.508 ' CE2' HD11 ' A' ' 86' ' ' ILE . 12.0 t80 -78.34 -49.93 12.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.787 HD11 ' CD2' ' A' ' 121' ' ' PHE . 3.9 tt -174.08 145.37 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.151 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.595 ' O ' HD12 ' A' ' 122' ' ' LEU . 44.8 mtt180 -51.81 131.09 30.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.848 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.42 ' HA ' HD13 ' A' ' 122' ' ' LEU . 23.8 ttp180 -61.87 -32.24 72.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.99 -32.32 69.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.852 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.787 ' CD2' HD11 ' A' ' 117' ' ' ILE . 54.2 t80 -65.37 -19.68 66.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.673 HD11 HG23 ' A' ' 117' ' ' ILE . 5.7 mp -85.51 -56.13 3.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.424 ' CD2' ' HB2' ' A' ' 22' ' ' SER . 4.7 mt -65.18 -23.96 67.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -54.39 155.96 3.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -91.62 -38.46 12.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -40.59 -46.12 2.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.102 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' ASN . . . . . 0.593 ' OD1' ' CZ ' ' A' ' 121' ' ' PHE . 20.5 m-80 -81.99 -44.74 16.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 72.6 34.21 60.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.496 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.637 HD12 ' HA ' ' A' ' 122' ' ' LEU . 56.5 mt -68.86 -22.86 64.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.881 0.372 . . . . 0.0 110.946 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.439 HD23 ' O ' ' A' ' 129' ' ' LEU . 3.3 mt -129.33 79.56 73.88 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.648 0.737 . . . . 0.0 110.936 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -18.39 37.24 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.692 2.261 . . . . 0.0 112.354 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -129.18 27.07 5.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 59.5 28.58 18.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -125.62 127.73 46.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 29.7 tp -93.54 119.54 32.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 41.9 m -98.88 98.66 9.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.085 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.426 ' CD1' HG21 ' A' ' 51' ' ' VAL . 11.0 mt -91.47 111.57 23.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 138' ' ' PHE . . . . . 0.483 ' CE1' ' HB2' ' A' ' 13' ' ' SER . 7.3 t80 -99.69 102.29 13.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 36.9 t -106.71 147.83 29.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.886 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -132.04 115.53 15.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 59.2 t -104.59 130.15 55.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.118 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 142' ' ' SER . . . . . 0.418 ' CB ' ' HB3' ' A' ' 11' ' ' LYS . 13.8 m -120.82 114.58 21.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 64.0 t -86.24 125.19 40.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.13 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.763 HG22 ' O ' ' A' ' 79' ' ' ARG . 19.6 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.135 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.9 p . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.88 0.372 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 86.5 t -102.59 107.91 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.1 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.22 158.19 28.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 17.2 p90 -144.36 147.56 33.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.859 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.458 ' HB2' ' CE1' ' A' ' 138' ' ' PHE . 81.7 p -107.79 130.13 55.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -125.78 110.6 13.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.94 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 34.3 ttm -87.7 114.03 23.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.875 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.518 ' HZ3' HG23 ' A' ' 51' ' ' VAL . 8.2 t90 -110.02 98.6 7.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 98.6 m -87.49 122.83 31.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.411 HD11 ' CZ2' ' A' ' 16' ' ' TRP . 39.7 mt -101.14 101.93 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.177 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.03 132.45 45.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.484 ' OD1' ' N ' ' A' ' 20' ' ' ASN . 0.5 OUTLIER 69.21 51.16 0.53 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.504 ' CZ ' ' HB3' ' A' ' 53' ' ' PRO . 90.7 t80 -66.58 -46.17 76.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.8 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.836 -179.811 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.946 0.403 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.625 HG23 ' ND2' ' A' ' 52' ' ' ASN . 9.9 p -124.05 153.89 30.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.137 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.608 HD12 ' HD3' ' A' ' 53' ' ' PRO . 35.7 mt -108.41 102.82 14.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.11 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 55.3 mttt -84.99 134.87 34.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.416 ' HB3' ' CZ3' ' A' ' 16' ' ' TRP . 84.9 p -97.33 172.14 7.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.86 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 m -67.89 168.79 10.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 76.5 p -86.83 120.65 28.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -119.34 149.64 41.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.7 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.843 -179.772 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.5 mptt . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.811 0.339 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.712 HD22 ' NE1' ' A' ' 47' ' ' TRP . 2.6 tt -71.43 129.11 37.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.902 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.464 ' N ' HD23 ' A' ' 45' ' ' LEU . 39.1 mmtm -122.72 160.6 25.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.712 ' NE1' HD22 ' A' ' 45' ' ' LEU . 57.5 m95 -137.73 152.6 49.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 34.7 t -137.47 147.62 45.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.449 HD11 ' CB ' ' A' ' 139' ' ' CYS . 18.9 mt -113.98 125.07 53.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.499 ' CZ ' ' HB2' ' A' ' 69' ' ' LEU . 15.8 mtm180 -103.26 116.38 32.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.632 HG22 HD13 ' A' ' 66' ' ' LEU . 74.8 t -112.45 135.34 52.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.093 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.679 ' O ' HD22 ' A' ' 64' ' ' LEU . 1.4 m120 -129.94 101.54 18.18 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.646 0.736 . . . . 0.0 110.887 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.608 ' HD3' HD12 ' A' ' 32' ' ' ILE . 54.1 Cg_endo -69.67 -8.17 22.92 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.69 2.26 . . . . 0.0 112.384 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.8 tttp -121.92 6.19 9.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 72.7 -178.74 38.89 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.51 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 54.2 mt -95.8 -35.17 11.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.843 0.354 . . . . 0.0 110.952 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -135.54 171.44 14.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -58.75 -22.87 58.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.404 ' HG2' ' NZ ' ' A' ' 114' ' ' LYS . 12.4 tt0 -65.72 -62.74 1.34 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 28.1 t -100.48 40.78 1.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -84.4 -29.68 25.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.862 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -75.81 -26.7 57.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -99.02 170.23 8.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.679 HD22 ' O ' ' A' ' 52' ' ' ASN . 2.3 tm? -92.87 126.59 38.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.951 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.576 ' N ' HD13 ' A' ' 64' ' ' LEU . 3.7 t -103.08 108.01 19.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.632 HD13 HG22 ' A' ' 51' ' ' VAL . 27.1 tp -119.39 125.8 49.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.456 ' CE2' ' O ' ' A' ' 113' ' ' PHE . 47.0 m-85 -130.71 163.51 27.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.928 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.477 ' CD2' ' HB3' ' A' ' 82' ' ' PHE . 66.9 tp -116.63 99.51 7.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.499 ' HB2' ' CZ ' ' A' ' 50' ' ' ARG . 5.6 tp -91.18 136.35 33.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.687 HD23 ' C ' ' A' ' 106' ' ' VAL . 50.3 tp -83.79 83.2 8.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.552 HG13 ' H ' ' A' ' 72' ' ' SER . 0.2 OUTLIER -36.87 -64.29 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 179.831 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.552 ' H ' HG13 ' A' ' 71' ' ' VAL . 9.9 t -146.31 159.56 43.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.495 ' HB3' HD21 ' A' ' 70' ' ' LEU . 12.1 p -154.52 139.38 11.78 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.605 0.716 . . . . 0.0 110.896 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -51.27 0.4 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.711 2.274 . . . . 0.0 112.303 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.8 ptpt -79.91 152.12 29.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.3 m -46.07 -52.45 11.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -134.91 153.56 52.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.4 p -145.61 141.58 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.137 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.833 ' O ' HG22 ' A' ' 144' ' ' VAL . 42.1 mtp180 -113.4 135.87 53.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -159.88 156.9 28.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.076 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.439 ' HG3' ' HB2' ' A' ' 102' ' ' ALA . 77.4 mttt -102.22 128.85 48.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.477 ' HB3' ' CD2' ' A' ' 68' ' ' LEU . 51.6 p90 -108.79 141.38 40.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.539 ' HZ2' ' HB3' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -135.09 134.71 40.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.915 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -113.91 146.58 39.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.874 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 75.1 p -161.1 153.67 20.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.862 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 50.7 mt -116.41 132.83 64.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.147 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.3 mt -96.85 112.71 24.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.469 ' OD1' ' N ' ' A' ' 90' ' ' LYS . 23.2 p30 -62.18 -176.62 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.59 -32.03 64.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.081 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.469 ' N ' ' OD1' ' A' ' 88' ' ' ASN . 6.8 mptt -88.1 18.57 4.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.858 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 55.1 31.79 56.37 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.495 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -107.49 135.32 49.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.826 0.345 . . . . 0.0 110.889 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -53.95 137.5 39.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.403 HG21 HD11 ' A' ' 129' ' ' LEU . 9.9 t -161.03 143.84 12.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.562 ' HB3' HD12 ' A' ' 117' ' ' ILE . 28.3 mmtt 51.49 49.38 21.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -101.65 163.51 12.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.104 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.481 ' CE ' ' CD2' ' A' ' 113' ' ' PHE . 12.9 mtm -138.59 116.76 11.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.514 ' HB3' ' CG ' ' A' ' 83' ' ' LYS . 3.0 pt-20 -129.41 149.86 51.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 37.3 t -129.52 161.01 31.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -107.11 51.0 0.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.947 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 24.9 mtt180 -160.98 137.54 8.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.439 ' HB2' ' HG3' ' A' ' 81' ' ' LYS . . . -96.75 152.17 18.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -113.43 157.44 21.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.7 ttm105 -76.66 99.67 5.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.512 ' HB3' HD22 ' A' ' 70' ' ' LEU . 22.9 m-85 -89.63 141.84 28.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.687 ' C ' HD23 ' A' ' 70' ' ' LEU . 20.0 m -151.94 159.83 3.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.115 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -47.9 98.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 99.43 23.47 11.11 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.489 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.608 ' HB2' HG22 ' A' ' 106' ' ' VAL . 18.4 tptt -98.85 144.11 28.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.808 0.337 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -127.24 126.08 42.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 45.2 m95 -144.48 122.57 12.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.412 ' HA2' ' CE1' ' A' ' 82' ' ' PHE . . . 179.1 -152.16 10.91 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.526 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.481 ' CD2' ' CE ' ' A' ' 97' ' ' MET . 21.8 m-85 -119.33 156.41 30.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.916 0.388 . . . . 0.0 110.876 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.404 ' NZ ' ' HG2' ' A' ' 59' ' ' GLU . 12.1 tttm -88.83 -54.65 4.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 49.8 mttt -102.57 98.33 8.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -83.59 -57.34 3.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.582 ' CG2' HD21 ' A' ' 122' ' ' LEU . 4.8 tt -161.79 149.59 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -62.28 113.11 2.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 7.5 ttp180 -44.23 -44.63 8.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -49.04 -43.74 40.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.617 ' CE1' ' ND2' ' A' ' 127' ' ' ASN . 72.9 t80 -58.29 -43.04 87.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.582 HD21 ' CG2' ' A' ' 117' ' ' ILE . 13.4 mt -54.88 -63.3 1.2 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.89 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.515 ' N ' HD12 ' A' ' 123' ' ' LEU . 3.3 mp -62.37 -33.34 74.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 123' ' ' LEU . 9.6 t0 -34.37 141.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -84.69 -33.64 23.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -50.01 -37.98 35.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.095 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' ASN . . . . . 0.617 ' ND2' ' CE1' ' A' ' 121' ' ' PHE . 35.7 m-80 -93.97 -44.75 7.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.86 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 71.81 43.78 49.6 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.518 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.489 ' CD2' ' HB2' ' A' ' 127' ' ' ASN . 3.5 mm? -63.39 -20.94 65.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.812 0.339 . . . . 0.0 110.863 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.3 mt -128.04 85.42 60.62 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.632 0.73 . . . . 0.0 110.943 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -30.27 22.55 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.686 2.257 . . . . 0.0 112.338 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -120.38 26.45 9.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 63.34 26.0 14.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -124.79 126.57 45.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 46.7 tp -89.15 104.47 17.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.959 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 58.3 m -82.66 99.38 9.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.143 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.411 ' CD1' HG21 ' A' ' 51' ' ' VAL . 7.4 mt -95.42 117.57 30.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 138' ' ' PHE . . . . . 0.458 ' CE1' ' HB2' ' A' ' 13' ' ' SER . 6.8 t80 -102.71 110.6 22.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 139' ' ' CYS . . . . . 0.449 ' CB ' HD11 ' A' ' 49' ' ' LEU . 18.7 t -112.91 141.96 46.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -126.41 112.86 16.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 59.1 t -103.25 128.71 56.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 16.1 m -118.35 112.17 19.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 59.0 t -84.16 132.27 31.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.833 HG22 ' O ' ' A' ' 79' ' ' ARG . 19.8 m . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.082 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.2 p . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.89 0.376 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 85.5 t -103.73 103.07 14.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.134 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.462 ' CB ' ' HA ' ' A' ' 142' ' ' SER . 0.0 OUTLIER -115.31 170.0 8.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.916 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -159.51 151.7 20.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 98.2 p -113.17 153.14 28.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.866 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -147.16 109.83 4.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.922 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.5 ' HE3' HD12 ' A' ' 87' ' ' LEU . 0.2 OUTLIER -84.62 126.49 33.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.544 ' NE1' ' CG1' ' A' ' 18' ' ' ILE . 6.0 t90 -121.33 100.21 6.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.933 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 59.5 m -93.15 100.37 12.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.141 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.544 ' CG1' ' NE1' ' A' ' 16' ' ' TRP . 70.6 mt -78.32 100.34 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.143 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -67.61 131.82 46.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.484 ' OD1' ' N ' ' A' ' 20' ' ' ASN . 0.3 OUTLIER 69.04 50.82 0.56 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.418 ' CZ ' ' HB3' ' A' ' 53' ' ' PRO . 64.8 t80 -61.94 -53.56 54.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.3 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.776 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.847 0.356 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.66 HG23 ' ND2' ' A' ' 52' ' ' ASN . 7.3 p -139.54 149.26 22.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.103 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.0 mt -96.4 98.6 7.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.095 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.0 mtmt -93.12 123.24 36.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 81.0 p -82.7 175.34 10.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.853 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.9 m -65.55 167.7 8.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.851 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.9 p -83.8 120.73 26.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.165 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 10.8 p90 -112.33 166.96 10.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.1 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.773 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 46.1 mmtt . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.816 0.341 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.635 HD22 ' NE1' ' A' ' 47' ' ' TRP . 3.2 tt -59.65 126.86 29.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.926 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.552 ' N ' HD23 ' A' ' 45' ' ' LEU . 56.9 mmtt -116.04 155.77 27.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.635 ' NE1' HD22 ' A' ' 45' ' ' LEU . 70.6 m95 -132.41 152.32 51.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.884 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.403 ' SG ' HD23 ' A' ' 69' ' ' LEU . 19.8 p -141.37 142.53 33.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.889 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 49' ' ' LEU . 13.0 mt -103.1 132.71 49.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 21.6 mtt180 -109.91 102.17 10.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.663 HG22 HD12 ' A' ' 66' ' ' LEU . 60.2 t -106.34 134.76 46.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.66 ' ND2' HG23 ' A' ' 31' ' ' VAL . 4.8 m-80 -134.8 100.77 11.96 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.624 0.726 . . . . 0.0 110.905 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.842 ' HA ' HD22 ' A' ' 64' ' ' LEU . 54.5 Cg_endo -69.79 -43.47 2.62 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.649 2.232 . . . . 0.0 112.362 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.1 mttp -78.46 9.95 3.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.923 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 58.14 -173.87 2.82 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 22.5 mt -103.38 -49.93 3.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.833 0.349 . . . . 0.0 110.945 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.87 167.2 11.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -60.2 -10.34 4.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -78.1 -42.13 32.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.0 m -118.52 36.61 4.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.876 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.456 ' CG ' ' N ' ' A' ' 62' ' ' ASP . 2.9 ptmm? -77.74 -48.59 16.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.456 ' N ' ' CG ' ' A' ' 61' ' ' LYS . 32.4 m-20 -68.85 -19.48 64.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -98.55 159.57 14.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.842 HD22 ' HA ' ' A' ' 53' ' ' PRO . 0.1 OUTLIER -88.66 123.28 32.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.963 179.916 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.57 ' N ' HD13 ' A' ' 64' ' ' LEU . 17.7 t -104.26 117.04 33.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.663 HD12 HG22 ' A' ' 51' ' ' VAL . 8.9 tt -128.42 140.12 52.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.966 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.509 ' CE1' ' O ' ' A' ' 113' ' ' PHE . 59.8 m-85 -143.9 150.75 38.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.586 HD23 ' CZ ' ' A' ' 105' ' ' PHE . 50.0 tp -99.82 111.93 24.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.894 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.763 HD12 ' O ' ' A' ' 109' ' ' LYS . 8.6 tp -105.01 143.24 33.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.874 HD21 ' HB3' ' A' ' 73' ' ' CYS . 51.7 tp -91.78 82.48 5.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.582 HG13 ' H ' ' A' ' 72' ' ' SER . 1.3 p -34.12 -57.2 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.121 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.582 ' H ' HG13 ' A' ' 71' ' ' VAL . 20.1 m -155.58 152.59 28.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.835 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.874 ' HB3' HD21 ' A' ' 70' ' ' LEU . 30.5 p -141.19 144.75 35.79 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.634 0.73 . . . . 0.0 110.864 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -50.72 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.649 2.233 . . . . 0.0 112.322 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.9 pttm -92.26 167.5 11.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.93 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 t -45.01 -64.34 0.73 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -128.61 166.22 19.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.7 p -150.05 140.05 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.17 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.746 ' O ' HG22 ' A' ' 144' ' ' VAL . 18.6 mtp85 -105.18 133.14 50.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -161.39 156.1 23.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.082 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.615 ' HG3' ' HB2' ' A' ' 102' ' ' ALA . 25.2 mttp -102.2 143.18 32.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.535 ' HB3' HD22 ' A' ' 68' ' ' LEU . 24.2 p90 -122.3 146.07 47.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.469 ' CG ' ' HG2' ' A' ' 98' ' ' GLU . 3.2 tmmm? -139.81 114.91 9.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -98.27 137.86 36.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.501 ' CB ' ' HB2' ' A' ' 96' ' ' ALA . 93.2 p -152.91 164.53 37.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.616 HD11 HG21 ' A' ' 117' ' ' ILE . 36.1 mt -123.31 128.68 74.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.116 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.5 HD12 ' HE3' ' A' ' 15' ' ' MET . 7.7 mt -91.35 114.57 27.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.459 ' OD1' ' N ' ' A' ' 90' ' ' LYS . 25.9 p30 -61.94 178.1 0.39 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.676 ' HB2' ' O ' ' A' ' 128' ' ' GLY . . . -52.13 -30.18 25.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.102 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.459 ' N ' ' OD1' ' A' ' 88' ' ' ASN . 0.5 OUTLIER -89.71 19.22 4.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.76 32.23 61.63 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -106.59 137.51 44.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.854 0.359 . . . . 0.0 110.879 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -61.98 131.6 50.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.2 t -155.1 146.49 22.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.137 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 40.1 mmtt 54.27 51.71 13.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.501 ' HB2' ' CB ' ' A' ' 85' ' ' SER . . . -102.47 157.65 16.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.085 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.405 ' HE3' ' CD1' ' A' ' 113' ' ' PHE . 16.3 mtm -132.52 124.82 29.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.469 ' HG2' ' CG ' ' A' ' 83' ' ' LYS . 37.4 mt-10 -99.2 159.62 14.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 8.3 t -100.99 146.73 27.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -62.21 -60.28 3.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.432 ' O ' ' CD1' ' A' ' 103' ' ' TYR . 11.1 ttm180 -144.49 145.88 32.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.823 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.615 ' HB2' ' HG3' ' A' ' 81' ' ' LYS . . . -42.08 159.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.085 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.432 ' CD1' ' O ' ' A' ' 101' ' ' ARG . 8.9 m-85 -124.61 161.22 26.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 20.7 ttm180 -75.52 98.81 4.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.586 ' CZ ' HD23 ' A' ' 68' ' ' LEU . 20.7 m-85 -90.54 131.92 36.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.536 HG22 ' HB2' ' A' ' 109' ' ' LYS . 10.9 m -140.02 158.13 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.154 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -47.65 104.24 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 95.97 25.27 13.23 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.504 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.763 ' O ' HD12 ' A' ' 69' ' ' LEU . 15.6 tptt -101.6 146.03 28.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.759 0.314 . . . . 0.0 110.947 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.8 p-10 -132.6 122.41 24.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 76.0 m95 -134.46 125.47 27.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 177.08 -159.5 25.91 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.462 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.509 ' O ' ' CE1' ' A' ' 67' ' ' TYR . 56.6 m-85 -115.37 163.32 15.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.925 0.393 . . . . 0.0 110.916 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 28.6 tttp -90.99 -51.11 5.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 30.8 mttt -101.62 89.26 3.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.411 ' HB3' ' O ' ' A' ' 64' ' ' LEU . 9.6 t80 -75.48 -47.3 27.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.616 HG21 HD11 ' A' ' 86' ' ' ILE . 4.0 tt -173.61 145.58 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.101 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 31.4 mtt180 -61.65 108.42 0.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.451 ' HD2' ' CA ' ' A' ' 53' ' ' PRO . 31.2 mtp180 -45.5 -43.63 11.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -46.99 -40.11 13.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.806 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.667 ' CD2' HD11 ' A' ' 129' ' ' LEU . 47.1 t80 -63.88 -35.85 81.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.884 ' HA ' HD12 ' A' ' 129' ' ' LEU . 8.6 mp -69.63 -58.42 3.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.956 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.455 ' N ' HD12 ' A' ' 123' ' ' LEU . 6.7 mp -55.94 -15.55 3.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -75.68 122.38 23.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -70.72 -33.52 70.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -46.65 -31.67 3.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.13 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' ASN . . . . . 0.593 ' OD1' ' CE1' ' A' ' 121' ' ' PHE . 50.1 m-80 -86.17 -37.91 18.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' GLY . . . . . 0.676 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . 92.82 -9.47 75.47 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.465 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.884 HD12 ' HA ' ' A' ' 122' ' ' LEU . 42.9 mt -40.87 -32.8 0.25 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.824 0.345 . . . . 0.0 110.886 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.737 HD23 ' O ' ' A' ' 129' ' ' LEU . 11.6 mt -134.37 88.5 29.84 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.603 0.716 . . . . 0.0 110.907 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -34.42 14.7 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.696 2.264 . . . . 0.0 112.37 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -125.13 22.64 7.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 70.45 41.57 0.97 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.514 ' O ' HD22 ' A' ' 130' ' ' LEU . 4.4 mtpt -121.79 130.75 53.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.595 HD21 HD23 ' A' ' 122' ' ' LEU . 1.3 tm? -94.64 94.03 7.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 22.5 m -87.7 98.62 11.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.573 HD12 HD12 ' A' ' 135' ' ' LEU . 1.2 mt -97.04 120.02 36.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -102.84 101.81 11.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.833 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 51.1 t -105.05 153.7 21.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -139.25 113.79 9.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 50.1 t -102.0 127.1 55.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.11 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 142' ' ' SER . . . . . 0.462 ' HA ' ' CB ' ' A' ' 11' ' ' LYS . 14.8 m -112.17 108.19 17.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 35.8 t -87.44 126.13 41.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.746 HG22 ' O ' ' A' ' 79' ' ' ARG . 16.6 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.105 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.1 t -76.99 -49.39 15.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.853 0.359 . . . . 0.0 110.894 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.8 p -104.8 102.72 12.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.875 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.16 -135.79 5.39 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.485 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.9 t -89.07 149.53 23.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.869 0.366 . . . . 0.0 110.885 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.1 t -104.67 -61.06 1.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.831 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.2 -171.18 13.94 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.458 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -95.49 156.77 16.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.784 0.326 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.408 ' O ' HG13 ' A' ' 9' ' ' VAL . 7.1 p -135.29 124.24 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.101 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 78.8 t -89.68 108.45 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.94 155.82 29.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -158.18 140.01 13.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.573 ' HB2' ' CZ ' ' A' ' 138' ' ' PHE . 81.3 p -108.31 151.14 26.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.807 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.447 ' CB ' ' CD2' ' A' ' 37' ' ' PHE . 9.7 t80 -141.36 117.03 10.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.937 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.492 ' HG2' HG23 ' A' ' 136' ' ' THR . 30.9 ttm -84.74 122.25 28.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.557 ' CZ2' HD11 ' A' ' 18' ' ' ILE . 10.1 t90 -117.89 102.92 9.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 38.6 m -95.92 109.94 22.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.101 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.557 HD11 ' CZ2' ' A' ' 16' ' ' TRP . 33.9 mt -90.62 98.85 8.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.64 128.3 35.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 73.14 49.54 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.923 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -62.38 -29.41 70.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.5 t -81.41 -4.21 55.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -100.25 -1.71 35.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.8 m -54.55 106.49 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -90.42 43.21 1.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.463 ' N ' ' OE1' ' A' ' 26' ' ' GLU . 12.2 mp0 -100.99 143.88 30.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -64.07 -177.72 0.29 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 9.3 ptm -85.12 20.86 1.79 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -137.16 -31.59 0.25 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.492 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -64.18 162.0 15.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.878 0.371 . . . . 0.0 110.872 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.825 HG21 ' HB3' ' A' ' 50' ' ' ARG . 9.5 p -134.09 151.12 31.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.144 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 46.2 mt -104.41 112.02 36.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.166 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 38.6 mttt -96.42 126.18 41.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 84.5 p -90.47 163.2 14.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.0 m -51.61 173.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.807 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 48.6 p -90.46 130.85 36.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.155 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.447 ' CD2' ' CB ' ' A' ' 14' ' ' TYR . 2.5 p90 -123.04 145.4 48.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.5 p -135.08 -178.82 5.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 45.3 t -59.53 -43.65 93.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -173.76 -82.93 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.462 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.24 178.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.774 0.321 . . . . 0.0 111.126 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -78.63 48.88 0.83 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -47.78 150.56 1.04 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -73.61 -31.97 63.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.953 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.1 tp -80.39 109.98 15.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 43.7 mmtt -108.61 167.54 9.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 55.9 m95 -145.1 153.89 41.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.482 ' SG ' HD23 ' A' ' 69' ' ' LEU . 5.3 p -142.9 156.75 44.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.431 HD21 ' SG ' ' A' ' 139' ' ' CYS . 80.0 mt -116.98 133.87 55.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.825 ' HB3' HG21 ' A' ' 31' ' ' VAL . 30.3 mtp180 -111.77 102.84 11.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.574 HG22 ' HG ' ' A' ' 66' ' ' LEU . 47.2 t -104.26 146.01 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.769 ' OD1' HG23 ' A' ' 31' ' ' VAL . 4.4 m120 -129.98 106.21 16.63 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.656 0.741 . . . . 0.0 110.862 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.558 ' HA ' HD12 ' A' ' 64' ' ' LEU . 53.5 Cg_endo -69.78 -49.47 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.672 2.248 . . . . 0.0 112.335 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.6 mttt -83.34 22.31 1.04 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.05 175.6 11.59 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.496 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.8 tp -113.23 -41.35 3.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.794 0.331 . . . . 0.0 110.882 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -123.49 174.32 7.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -74.5 -13.31 60.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -82.48 -36.62 26.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 75.5 p -118.32 31.54 6.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.902 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -67.92 -28.79 67.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -77.39 -39.46 47.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.598 ' CD2' ' HG2' ' A' ' 118' ' ' ARG . 3.6 m-85 -92.71 173.41 7.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.558 HD12 ' HA ' ' A' ' 53' ' ' PRO . 5.2 tp -89.7 145.45 25.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 m -116.3 99.23 7.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 1.057 HD23 ' N ' ' A' ' 67' ' ' TYR . 5.8 tt -107.98 148.24 29.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 1.057 ' N ' HD23 ' A' ' 66' ' ' LEU . 78.4 m-85 -154.78 143.81 20.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.957 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.622 HD22 ' HB3' ' A' ' 82' ' ' PHE . 34.7 tp -93.0 112.88 24.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.919 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.482 HD23 ' SG ' ' A' ' 48' ' ' CYS . 6.1 tp -104.14 140.71 37.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.65 HD21 ' HB3' ' A' ' 73' ' ' CYS . 41.4 tp -89.23 84.0 6.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.619 HG13 ' H ' ' A' ' 72' ' ' SER . 0.4 OUTLIER -37.37 -64.29 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.832 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.619 ' H ' HG13 ' A' ' 71' ' ' VAL . 18.2 t -147.1 149.92 34.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.65 ' HB3' HD21 ' A' ' 70' ' ' LEU . 25.6 p -142.24 144.7 32.41 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.606 0.717 . . . . 0.0 110.888 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -48.54 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.657 2.238 . . . . 0.0 112.341 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.3 pttt -93.79 165.56 12.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.6 m -46.32 -71.48 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -119.45 158.96 25.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -144.88 137.94 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.155 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.9 mtt180 -105.23 132.36 51.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -159.83 158.48 31.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 61.1 mttt -103.85 135.9 44.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.622 ' HB3' HD22 ' A' ' 68' ' ' LEU . 44.4 p90 -116.05 154.28 30.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.516 ' CG ' ' HB3' ' A' ' 98' ' ' GLU . 0.0 OUTLIER -148.09 120.2 8.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -99.97 140.87 33.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 92.4 p -153.12 156.0 37.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 34.5 mt -114.85 128.68 71.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.179 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 mt -95.01 108.37 20.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.489 ' OD1' ' N ' ' A' ' 90' ' ' LYS . 27.8 p30 -57.77 179.41 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -54.65 -25.31 26.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.052 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.489 ' N ' ' OD1' ' A' ' 88' ' ' ASN . 0.8 OUTLIER -94.27 19.4 9.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.951 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.44 28.73 56.05 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.493 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -102.76 142.36 34.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.814 0.34 . . . . 0.0 110.901 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -68.21 133.54 49.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.4 t -156.91 139.32 14.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.159 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.561 ' HE2' ' CE2' ' A' ' 121' ' ' PHE . 31.6 mmtm 59.47 43.92 15.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.88 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -95.75 147.49 23.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.096 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.541 ' HE3' ' CD2' ' A' ' 113' ' ' PHE . 20.6 mtm -120.76 111.9 18.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.827 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.516 ' HB3' ' CG ' ' A' ' 83' ' ' LYS . 3.0 pt-20 -120.23 148.38 43.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.1 t -131.86 141.9 49.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -91.39 45.08 1.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.957 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -146.35 137.88 24.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -100.73 137.52 39.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -108.3 163.78 12.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.914 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -82.38 119.46 24.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.576 ' CZ ' HD23 ' A' ' 68' ' ' LEU . 33.8 m-85 -108.61 136.11 48.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.634 HG22 ' HB2' ' A' ' 109' ' ' LYS . 17.1 m -143.15 149.43 18.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.134 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -41.78 95.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 106' ' ' VAL . . . 108.55 18.64 9.4 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.492 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.634 ' HB2' HG22 ' A' ' 106' ' ' VAL . 14.4 tptt -102.0 135.23 43.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.768 0.318 . . . . 0.0 110.863 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -121.74 125.16 45.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 88.5 m95 -137.1 132.92 34.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 178.83 -142.87 5.58 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.482 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.541 ' CD2' ' HE3' ' A' ' 97' ' ' MET . 20.1 m-85 -132.16 152.58 51.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.938 0.399 . . . . 0.0 110.887 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 19.9 tttt -78.98 -54.59 5.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -103.23 95.86 6.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -88.22 -49.67 6.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.486 HG13 ' N ' ' A' ' 118' ' ' ARG . 8.2 tp -159.29 153.21 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.138 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.598 ' HG2' ' CD2' ' A' ' 63' ' ' TYR . 18.2 mtt180 -74.83 117.03 16.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 22.3 ttp180 -51.48 -38.01 51.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -65.77 -23.11 66.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.561 ' CE2' ' HE2' ' A' ' 95' ' ' LYS . 31.0 t80 -75.7 -42.94 49.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.939 ' HA ' HD12 ' A' ' 129' ' ' LEU . 5.8 mp -59.72 -56.34 23.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 9.1 mt -58.21 -18.92 29.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -59.92 142.44 53.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -82.17 -36.07 27.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.855 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -46.09 -43.04 14.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.12 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.554 ' OD1' ' CZ ' ' A' ' 121' ' ' PHE . 51.0 m-80 -83.04 -41.6 18.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 70.8 29.17 69.66 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.465 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.939 HD12 ' HA ' ' A' ' 122' ' ' LEU . 45.8 mt -62.96 -22.67 66.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.872 0.368 . . . . 0.0 110.909 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.698 HD23 ' O ' ' A' ' 129' ' ' LEU . 2.7 mt -134.21 85.26 39.58 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.595 0.712 . . . . 0.0 110.904 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -25.44 28.44 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.676 2.251 . . . . 0.0 112.341 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -133.39 26.71 4.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 66.36 32.07 7.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -113.8 120.02 39.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.726 HD11 ' HG ' ' A' ' 137' ' ' LEU . 3.5 tm? -93.16 101.55 13.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.492 HG23 ' HG2' ' A' ' 15' ' ' MET . 85.0 m -93.74 103.98 16.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.123 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.726 ' HG ' HD11 ' A' ' 135' ' ' LEU . 5.7 mt -101.33 110.41 22.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' PHE . . . . . 0.573 ' CZ ' ' HB2' ' A' ' 13' ' ' SER . 29.1 t80 -91.37 105.74 17.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.857 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' CYS . . . . . 0.431 ' SG ' HD21 ' A' ' 49' ' ' LEU . 51.7 t -103.28 149.83 24.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -135.14 117.99 16.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 20.7 t -110.6 135.33 50.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.136 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 10.7 m -126.01 108.37 11.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.83 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 91.4 t -84.72 124.38 39.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.125 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 144' ' ' VAL . 29.8 m -68.31 123.18 21.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' GLN . . . . . 0.413 ' HB3' HG22 ' A' ' 148' ' ' VAL . 23.8 mt-30 -125.47 166.67 16.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.946 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' ASP . . . . . 0.574 ' O ' HG13 ' A' ' 148' ' ' VAL . 0.8 OUTLIER -121.7 82.43 1.94 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 147' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 146' ' ' ASP . 25.8 p 35.12 38.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.574 HG13 ' O ' ' A' ' 146' ' ' ASP . 27.0 m -93.55 122.87 45.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -128.9 98.07 4.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' ILE . . . . . 0.572 HD12 ' H ' ' A' ' 150' ' ' ILE . 4.5 mp -83.63 122.89 38.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.161 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 23.3 t -119.21 155.26 32.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . -109.03 -101.05 2.67 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.521 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 55.15 38.86 31.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.796 0.331 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 4.6 m -83.76 165.91 18.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -63.95 154.76 46.33 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.474 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 -43.14 2.75 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.661 2.24 . . . . 0.0 112.31 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 19.9 m 45.07 41.95 6.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.853 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 30.7 p -97.08 170.44 9.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.495 -179.956 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.2 t -65.45 129.52 40.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.918 0.389 . . . . 0.0 110.794 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.2 m -153.71 176.33 12.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.832 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.7 43.65 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.534 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.3 t -105.88 116.46 31.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.877 0.37 . . . . 0.0 110.846 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.8 m -147.79 109.79 4.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.834 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.65 -107.89 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.451 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 52.8 tttt -66.47 151.09 47.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.803 0.335 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 143' ' ' VAL . 7.2 p -140.19 125.1 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.108 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 99.5 t -87.63 110.19 20.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.02 157.34 27.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 11.2 p90 -153.39 143.56 22.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.466 ' HB2' ' CE1' ' A' ' 138' ' ' PHE . 80.7 p -107.59 126.91 53.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.831 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -120.29 116.87 26.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 30.3 ttm -93.88 122.23 36.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.879 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.601 ' CZ2' HD11 ' A' ' 18' ' ' ILE . 8.7 t90 -118.44 100.4 7.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.948 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 85.3 m -91.64 108.93 20.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.183 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.601 HD11 ' CZ2' ' A' ' 16' ' ' TRP . 38.5 mt -88.68 103.98 14.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.146 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.452 ' C ' ' CG ' ' A' ' 20' ' ' ASN . 0.5 OUTLIER -66.13 147.53 53.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.452 ' CG ' ' C ' ' A' ' 19' ' ' ASN . 0.7 OUTLIER 48.58 47.42 20.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.935 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -61.06 -16.36 42.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.8 m -80.35 -12.53 59.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.849 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -110.35 17.88 20.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.0 m -42.51 103.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.414 ' C ' ' HD2' ' A' ' 25' ' ' ARG . 2.8 tmm_? -49.09 -53.31 21.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -39.51 129.12 1.91 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.6 mp0 -97.74 -176.25 3.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.87 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.459 ' N ' ' HD3' ' A' ' 54' ' ' LYS . 15.0 tpp -45.71 129.83 9.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 96.33 -62.36 1.22 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.501 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -43.62 165.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.925 0.393 . . . . 0.0 110.881 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.412 HG21 ' HB3' ' A' ' 50' ' ' ARG . 7.5 p -137.13 151.19 26.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.158 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 55.3 mt -101.2 107.1 20.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.6 mttt -91.18 130.77 37.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.403 ' HB3' ' CE3' ' A' ' 16' ' ' TRP . 89.9 p -93.27 176.31 6.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 m -63.5 177.68 0.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.432 HG22 HG11 ' A' ' 71' ' ' VAL . 31.1 p -97.23 120.89 38.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.167 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 12.8 p90 -119.61 139.13 52.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 65.3 p -131.69 177.02 7.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 35.7 p -67.35 -44.52 78.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.838 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -130.29 -162.01 10.6 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.496 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -91.79 -41.65 10.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.807 0.337 . . . . 0.0 111.095 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -93.81 45.47 1.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -111.66 99.5 8.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp -52.48 -21.96 4.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.658 HD21 ' HZ2' ' A' ' 47' ' ' TRP . 19.4 tp -82.66 123.96 29.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.945 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.1 mmtm -118.56 167.96 11.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.658 ' HZ2' HD21 ' A' ' 45' ' ' LEU . 62.2 m95 -147.9 151.39 35.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.926 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.444 ' SG ' ' N ' ' A' ' 49' ' ' LEU . 29.0 t -138.32 161.69 36.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.478 HD22 HD11 ' A' ' 66' ' ' LEU . 22.8 mt -118.78 128.45 54.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.481 HH11 HD13 ' A' ' 69' ' ' LEU . 55.7 mtp180 -107.14 105.7 15.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.813 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.2 t -104.41 138.96 26.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.057 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.557 ' ND2' ' N ' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -130.85 102.23 16.36 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.602 0.715 . . . . 0.0 110.857 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 52' ' ' ASN . 53.5 Cg_endo -69.79 -46.04 1.36 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.683 2.256 . . . . 0.0 112.333 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.459 ' HD3' ' N ' ' A' ' 28' ' ' MET . 7.7 mtpt -81.46 -14.19 57.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.874 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.35 177.8 51.98 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.459 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.588 HD22 ' N ' ' A' ' 56' ' ' LEU . 2.5 mm? -76.11 -47.1 25.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.817 0.341 . . . . 0.0 110.904 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -143.98 177.62 8.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.839 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -51.3 -22.49 2.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -61.8 -57.17 12.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.938 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 81.8 p -98.73 40.94 1.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.809 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -84.82 -34.32 22.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -70.57 -47.03 62.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.823 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.432 ' CD2' ' CG ' ' A' ' 115' ' ' LYS . 2.6 m-85 -97.53 162.77 13.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.497 HD23 ' N ' ' A' ' 65' ' ' SER . 9.8 tt -89.22 154.88 19.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.915 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.497 ' N ' HD23 ' A' ' 64' ' ' LEU . 1.0 OUTLIER -119.55 122.94 42.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.627 HD12 ' N ' ' A' ' 67' ' ' TYR . 5.0 tp -131.17 125.38 32.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.627 ' N ' HD12 ' A' ' 66' ' ' LEU . 61.7 m-85 -133.4 143.75 49.1 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 17.5 tp -93.68 105.38 17.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.929 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.481 HD13 HH11 ' A' ' 50' ' ' ARG . 6.5 tp -94.98 145.89 24.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.803 HD21 ' HB3' ' A' ' 73' ' ' CYS . 12.6 tp -95.01 84.87 4.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.578 HG13 ' H ' ' A' ' 72' ' ' SER . 0.2 OUTLIER -38.96 -63.65 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 179.822 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.578 ' H ' HG13 ' A' ' 71' ' ' VAL . 43.0 t -147.01 144.54 29.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.803 ' HB3' HD21 ' A' ' 70' ' ' LEU . 28.2 p -137.01 143.81 43.8 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.613 0.72 . . . . 0.0 110.891 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.412 ' HD2' HD13 ' A' ' 45' ' ' LEU . 53.8 Cg_endo -69.76 -46.82 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.666 2.244 . . . . 0.0 112.375 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.1 pttm -97.07 157.1 16.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.1 m -40.81 -69.77 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.816 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -118.02 159.2 23.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -147.28 141.25 19.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.132 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.4 mtp-105 -110.57 131.95 54.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -159.34 158.39 32.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.066 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.523 ' HG3' ' HB2' ' A' ' 102' ' ' ALA . 56.5 mttt -102.96 135.36 44.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -121.31 148.08 44.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.406 ' C ' ' HD2' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -138.56 127.82 24.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -106.71 142.8 35.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.847 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.471 ' HB3' ' CB ' ' A' ' 96' ' ' ALA . 23.5 p -157.03 163.37 39.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.551 HD11 HG21 ' A' ' 117' ' ' ILE . 26.3 mt -123.22 136.46 59.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.14 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.1 mt -98.62 109.47 22.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.578 ' HA ' HD13 ' A' ' 129' ' ' LEU . 41.1 p30 -60.26 -176.6 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.941 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.436 ' HB2' ' O ' ' A' ' 128' ' ' GLY . . . -55.71 -29.27 59.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.075 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.405 ' N ' ' OD1' ' A' ' 88' ' ' ASN . 1.3 mppt? -88.9 16.49 6.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 55.78 30.06 55.86 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.453 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -105.94 134.75 48.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.817 0.341 . . . . 0.0 110.903 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -54.83 132.73 46.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.518 HG21 HD11 ' A' ' 129' ' ' LEU . 5.7 t -153.52 149.43 27.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.163 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.521 ' HE2' ' CE1' ' A' ' 121' ' ' PHE . 34.0 mmtm 50.39 52.72 14.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.471 ' CB ' ' HB3' ' A' ' 85' ' ' SER . . . -103.9 152.74 21.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.088 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 19.6 mtm -126.71 120.1 28.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -93.88 157.65 16.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 28.5 t -100.63 157.99 16.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.453 ' NE2' ' HB3' ' A' ' 101' ' ' ARG . 3.4 pp0? -87.95 -38.01 15.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.941 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.453 ' HB3' ' NE2' ' A' ' 100' ' ' GLN . 37.7 ttt180 -153.73 164.01 39.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.523 ' HB2' ' HG3' ' A' ' 81' ' ' LYS . . . -72.9 160.12 32.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -119.71 163.98 16.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.949 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 15.8 ttm180 -82.36 96.19 7.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -87.28 148.78 24.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.609 HG22 ' HB2' ' A' ' 109' ' ' LYS . 13.8 m -153.58 145.66 14.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.121 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 106' ' ' VAL . 5.9 tt0 -37.69 97.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 106' ' ' VAL . . . 103.87 23.23 8.33 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.492 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.609 ' HB2' HG22 ' A' ' 106' ' ' VAL . 19.7 tptt -103.27 144.48 31.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.828 0.347 . . . . 0.0 110.872 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -130.47 121.04 25.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 94.9 m95 -133.24 134.66 44.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 169.19 -159.43 32.4 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.46 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -117.77 137.83 52.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.894 0.378 . . . . 0.0 110.866 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -66.1 -62.2 1.62 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.432 ' CG ' ' CD2' ' A' ' 63' ' ' TYR . 1.3 mptm? -87.01 91.44 8.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.447 ' CD2' HG22 ' A' ' 117' ' ' ILE . 10.1 t80 -78.86 -52.11 8.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.551 HG21 HD11 ' A' ' 86' ' ' ILE . 2.1 tt -170.96 146.68 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.114 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.409 ' HG2' ' CD1' ' A' ' 63' ' ' TYR . 25.1 mtt180 -54.64 119.51 5.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.42 ' HA ' HD13 ' A' ' 122' ' ' LEU . 14.3 ttt180 -53.83 -45.57 70.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -51.18 -41.1 59.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.521 ' CE1' ' HE2' ' A' ' 95' ' ' LYS . 12.8 t80 -52.52 -38.95 60.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' ' 119' ' ' ARG . 6.8 mp -64.85 -55.42 19.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.706 HD13 HD12 ' A' ' 130' ' ' LEU . 1.9 mm? -70.04 -11.53 60.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -58.48 149.36 25.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -89.81 -33.85 16.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.41 -36.92 64.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.439 ' CG ' ' CE1' ' A' ' 121' ' ' PHE . 5.0 m120 -93.23 -44.54 8.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.436 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . 69.24 44.19 67.22 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.524 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.578 HD13 ' HA ' ' A' ' 88' ' ' ASN . 1.9 mm? -64.6 -23.66 67.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.843 0.354 . . . . 0.0 110.94 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.706 HD12 HD13 ' A' ' 123' ' ' LEU . 1.7 mt -127.43 85.63 60.45 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.64 0.733 . . . . 0.0 110.876 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -22.71 31.7 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.675 2.25 . . . . 0.0 112.357 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -130.07 25.51 5.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 64.32 27.29 13.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -125.72 122.66 36.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 16.9 tp -88.44 114.18 24.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 95.2 m -96.18 95.22 7.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 7.4 mt -87.97 124.18 33.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' PHE . . . . . 0.466 ' CE1' ' HB2' ' A' ' 13' ' ' SER . 10.2 t80 -107.6 105.83 15.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 34.3 t -107.18 153.76 22.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -140.04 119.2 12.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 24.2 t -108.75 134.48 50.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.117 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.5 m -123.54 108.52 12.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.582 ' O ' HG23 ' A' ' 9' ' ' VAL . 59.4 t -84.62 128.23 39.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.15 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 144' ' ' VAL . 24.7 m -77.56 128.0 38.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.142 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 60.9 mm-40 -113.62 -175.0 2.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.948 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -84.19 150.78 25.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 70.1 p -53.45 156.12 2.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 33.4 m -151.72 163.46 2.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.099 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -108.84 134.3 51.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 70.8 mt -104.12 136.3 37.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.099 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 2.5 t -141.1 127.49 19.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . -167.49 100.5 0.17 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.481 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -109.3 149.68 29.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.826 0.346 . . . . 0.0 110.906 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 33.1 t -175.11 149.22 1.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -97.16 144.26 17.23 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.467 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -177.83 2.04 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.652 2.235 . . . . 0.0 112.399 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 1.8 t -161.79 132.56 5.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.829 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -133.5 154.55 50.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.837 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.488 179.991 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.0 t -104.44 -43.8 5.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.886 0.374 . . . . 0.0 110.863 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.4 p -49.15 150.29 1.71 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.42 -118.43 4.62 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.494 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -152.42 158.28 42.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.85 0.357 . . . . 0.0 110.888 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.3 m -150.81 172.11 16.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.817 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.32 -163.05 51.61 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.462 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.478 ' HD2' ' N ' ' A' ' 9' ' ' VAL . 0.2 OUTLIER -77.4 151.69 34.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.817 0.341 . . . . 0.0 110.864 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.478 ' N ' ' HD2' ' A' ' 8' ' ' LYS . 7.4 p -138.94 127.63 28.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.482 HG23 ' HG3' ' A' ' 145' ' ' GLN . 68.6 t -88.55 100.82 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.127 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.53 155.48 26.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -153.68 140.8 19.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.479 ' HB2' ' CE1' ' A' ' 138' ' ' PHE . 97.0 p -109.8 130.14 55.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.832 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -123.85 121.86 36.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.933 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 38.5 ttm -92.7 119.63 32.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.924 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.605 ' CZ2' HD11 ' A' ' 18' ' ' ILE . 10.0 t90 -115.26 109.28 17.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 85.4 m -102.97 125.67 49.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.116 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.605 HD11 ' CZ2' ' A' ' 16' ' ' TRP . 32.2 mt -107.73 100.66 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -65.37 134.24 53.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 52.2 m-20 62.92 45.9 5.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.459 ' CZ ' ' HB3' ' A' ' 53' ' ' PRO . 69.7 t80 -47.38 -19.86 0.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.3 t -86.72 19.8 2.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.669 ' CD1' ' C ' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -101.56 -34.95 9.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.432 ' N ' ' CD1' ' A' ' 23' ' ' PHE . 78.3 m -57.47 91.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -107.5 42.7 1.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -71.4 178.07 3.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 28' ' ' MET . 32.0 mp0 -97.05 156.25 16.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.407 ' C ' ' O ' ' A' ' 27' ' ' GLU . 5.6 ttm -37.94 133.52 0.86 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.85 -54.87 0.91 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.465 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -38.55 133.36 1.04 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.857 0.36 . . . . 0.0 110.897 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.608 HG23 ' ND2' ' A' ' 52' ' ' ASN . 12.3 p -126.2 162.1 30.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.091 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.532 ' N ' HG22 ' A' ' 31' ' ' VAL . 17.0 mt -109.81 117.56 54.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -100.08 108.59 20.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.556 ' HB3' ' CZ3' ' A' ' 16' ' ' TRP . 28.9 p -71.8 152.1 42.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 61.4 m -44.88 170.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.859 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.572 HG22 HG11 ' A' ' 71' ' ' VAL . 37.9 p -86.2 129.32 34.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.141 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -118.71 139.57 51.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.8 p -137.9 159.76 41.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.5 t -52.35 -66.13 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.833 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -96.66 -122.93 4.32 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.502 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -129.75 -53.7 1.15 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.833 0.349 . . . . 0.0 111.114 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -82.32 40.07 0.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -90.41 120.29 31.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.828 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 49.6 mmtt -68.75 -40.98 79.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.51 HD21 ' HZ2' ' A' ' 47' ' ' TRP . 32.4 tp -72.83 120.18 18.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 48.0 mmtt -116.03 160.57 20.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.51 ' HZ2' HD21 ' A' ' 45' ' ' LEU . 70.4 m95 -139.3 153.78 47.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.464 ' SG ' HD23 ' A' ' 69' ' ' LEU . 21.9 p -143.25 144.09 32.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.859 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 77.1 mt -100.62 136.38 40.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.403 ' HB3' HG21 ' A' ' 31' ' ' VAL . 18.8 mtp180 -107.87 102.66 11.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.853 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.595 HG22 ' HG ' ' A' ' 66' ' ' LEU . 88.2 t -104.28 140.33 22.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.608 ' ND2' HG23 ' A' ' 31' ' ' VAL . 39.5 m-80 -133.37 102.03 13.09 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.629 0.728 . . . . 0.0 110.881 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.485 ' HA ' HD23 ' A' ' 64' ' ' LEU . 53.8 Cg_endo -69.79 -32.87 17.61 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.707 2.271 . . . . 0.0 112.302 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.1 tttp -89.97 -14.37 34.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 86.27 162.09 36.38 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.486 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 31.2 mt -81.23 -54.95 5.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.85 0.357 . . . . 0.0 110.929 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -129.25 177.87 6.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -59.39 -12.91 6.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -74.15 -45.24 49.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 89.2 p -120.02 43.43 2.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.834 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.3 ptmm? -87.18 -33.51 19.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -82.15 -29.24 31.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.498 ' CE1' ' HG2' ' A' ' 118' ' ' ARG . 21.1 m-85 -97.67 166.84 11.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.969 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.549 HD22 ' O ' ' A' ' 52' ' ' ASN . 3.1 tm? -92.94 122.86 35.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.3 t -100.47 123.88 45.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.595 ' HG ' HG22 ' A' ' 51' ' ' VAL . 6.3 tt -135.18 113.69 11.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -114.6 168.19 10.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.759 HD23 ' CZ ' ' A' ' 105' ' ' PHE . 49.3 tp -110.09 100.13 9.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.901 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.783 HD12 ' O ' ' A' ' 109' ' ' LYS . 11.5 tp -90.29 141.29 28.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.809 HD23 ' C ' ' A' ' 106' ' ' VAL . 55.4 tp -93.91 87.6 5.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.572 HG11 HG22 ' A' ' 36' ' ' THR . 0.2 OUTLIER -42.83 -63.25 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.097 179.878 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.564 ' H ' HG13 ' A' ' 71' ' ' VAL . 3.3 m -146.41 147.7 31.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.823 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.704 ' HB3' HD21 ' A' ' 70' ' ' LEU . 28.8 p -137.8 143.05 38.62 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.606 0.717 . . . . 0.0 110.874 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.448 ' HD2' HD13 ' A' ' 45' ' ' LEU . 53.4 Cg_endo -69.79 -43.51 2.59 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.684 2.256 . . . . 0.0 112.315 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.9 pttm -101.49 162.11 13.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.921 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 72.1 m -41.41 -64.15 0.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.407 ' CB ' HG12 ' A' ' 106' ' ' VAL . 9.1 pt-20 -130.03 153.2 48.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.7 p -139.97 136.42 38.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.167 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 23.0 mtt-85 -104.18 133.94 48.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -160.64 160.09 31.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.09 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.443 ' HG3' ' HB2' ' A' ' 102' ' ' ALA . 34.8 mttm -103.09 155.55 18.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.578 ' HB3' HD22 ' A' ' 68' ' ' LEU . 23.9 p90 -139.53 155.63 47.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.824 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.8 tmmm? -147.99 116.75 6.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -97.95 138.19 35.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 77.4 p -149.27 162.32 40.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.83 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.494 HD11 HG21 ' A' ' 117' ' ' ILE . 30.8 mt -120.93 133.28 68.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.101 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.0 mt -96.86 106.01 18.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.652 ' ND2' ' H ' ' A' ' 92' ' ' GLU . 0.4 OUTLIER -57.66 -174.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.2 -31.39 61.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.88 9.53 9.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 62.58 20.85 61.98 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.652 ' H ' ' ND2' ' A' ' 88' ' ' ASN . 5.4 mm-40 -101.69 142.71 32.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.785 0.326 . . . . 0.0 110.908 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -58.57 137.88 57.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.1 t -157.44 136.11 11.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 47.0 mmtt 61.88 46.55 6.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -91.95 168.49 11.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.636 ' CE ' ' CG ' ' A' ' 113' ' ' PHE . 12.1 mtm -140.87 117.68 11.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -88.72 161.7 16.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 30.3 t -109.08 137.52 46.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.833 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -67.74 -63.19 1.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.923 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 13.2 ttp180 -130.52 160.22 34.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.443 ' HB2' ' HG3' ' A' ' 81' ' ' LYS . . . -70.25 168.85 14.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.089 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -130.12 173.74 10.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.934 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 -86.72 97.6 10.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.759 ' CZ ' HD23 ' A' ' 68' ' ' LEU . 38.7 m-85 -91.35 118.17 30.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.809 ' C ' HD23 ' A' ' 70' ' ' LEU . 15.1 m -127.65 166.6 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.133 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -51.95 118.1 3.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 80.5 20.8 65.65 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.497 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.783 ' O ' HD12 ' A' ' 69' ' ' LEU . 22.7 tptt -102.14 163.57 12.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.792 0.329 . . . . 0.0 110.919 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.427 ' OD1' ' C ' ' A' ' 68' ' ' LEU . 6.6 t0 -148.46 136.12 20.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.572 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 96.9 m95 -150.81 124.57 9.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.558 ' HA2' ' CZ ' ' A' ' 82' ' ' PHE . . . -176.7 -127.69 1.06 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.636 ' CG ' ' CE ' ' A' ' 97' ' ' MET . 66.5 m-85 -132.07 146.45 52.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.923 0.392 . . . . 0.0 110.914 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 8.7 tttp -76.52 -59.58 2.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -103.33 102.62 12.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -78.88 -54.16 6.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.494 HG21 HD11 ' A' ' 86' ' ' ILE . 2.1 tt -168.76 145.25 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.094 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.498 ' HG2' ' CE1' ' A' ' 63' ' ' TYR . 15.4 mtt180 -49.87 118.97 3.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.446 ' HE ' HD11 ' A' ' 123' ' ' LEU . 17.0 ttp180 -52.54 -42.49 64.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -53.67 -42.75 68.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.593 ' CZ ' ' OD1' ' A' ' 127' ' ' ASN . 13.7 t80 -53.19 -42.65 66.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.572 ' HA ' HD12 ' A' ' 129' ' ' LEU . 7.8 mp -59.52 -62.41 1.9 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.928 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.446 HD11 ' HE ' ' A' ' 119' ' ' ARG . 4.5 mt -59.41 -30.37 68.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -49.52 150.52 1.91 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -93.81 -35.41 12.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -42.79 -43.19 3.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.593 ' OD1' ' CZ ' ' A' ' 121' ' ' PHE . 8.1 m-20 -84.25 -40.58 17.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 69.66 38.55 77.82 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.466 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.572 HD12 ' HA ' ' A' ' 122' ' ' LEU . 50.3 mt -70.37 -24.09 62.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.81 0.338 . . . . 0.0 110.905 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.6 mt -126.0 82.93 64.01 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.611 0.72 . . . . 0.0 110.905 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -35.12 13.18 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.692 2.261 . . . . 0.0 112.309 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -112.2 25.06 11.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 61.04 35.87 18.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt -133.9 130.16 37.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.88 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 46.4 tp -93.68 112.56 24.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 76.1 m -92.5 95.53 9.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.414 HD22 ' CD1' ' A' ' 66' ' ' LEU . 17.9 mt -88.78 116.81 27.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.914 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' PHE . . . . . 0.479 ' CE1' ' HB2' ' A' ' 13' ' ' SER . 8.3 t80 -103.46 111.25 23.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 16.6 t -113.7 147.7 37.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.845 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -133.3 114.99 14.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.859 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 48.2 t -103.61 139.17 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 19.9 m -131.99 107.65 8.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.467 ' O ' HG23 ' A' ' 9' ' ' VAL . 64.6 t -84.14 130.64 35.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.111 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 25.6 m -73.57 132.01 34.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.14 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' GLN . . . . . 0.482 ' HG3' HG23 ' A' ' 10' ' ' VAL . 61.9 mm-40 -123.12 177.44 5.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -102.84 155.91 18.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.822 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 22.6 p -61.97 141.07 58.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 17.2 m -127.34 160.6 36.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.159 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -117.38 88.22 2.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 19.5 mt -74.52 134.11 30.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.176 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 40.3 p -146.14 172.75 12.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.878 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . -157.28 -166.67 17.17 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.513 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 58.6 mm-40 -129.19 111.4 12.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.771 0.319 . . . . 0.0 110.915 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 44.0 p -52.81 118.45 3.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.836 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 122.32 -156.22 16.95 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.494 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 94.87 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.737 2.291 . . . . 0.0 112.331 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 78.0 p -91.98 115.74 28.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 3.4 m -47.94 119.78 3.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.479 -179.968 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.435 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 1' ' ' GLY . 16.4 m -35.47 110.84 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.86 0.362 . . . . 0.0 110.876 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.3 m -117.61 166.82 11.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.74 92.36 0.49 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.529 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 t -132.78 91.22 2.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.904 0.383 . . . . 0.0 110.868 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.2 m -88.47 109.98 20.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.858 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.58 -164.55 12.5 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.487 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.453 ' HD3' ' N ' ' A' ' 9' ' ' VAL . 5.4 tmtm? -68.15 149.0 50.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.864 0.364 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 143' ' ' VAL . 7.3 p -137.48 134.33 46.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.108 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 84.0 t -97.44 107.25 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.172 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.25 156.06 28.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 12.8 p90 -141.28 146.18 36.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 89.6 p -114.19 125.99 54.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -118.07 115.31 24.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 36.6 ttm -88.14 114.33 24.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.55 ' CZ2' HD11 ' A' ' 18' ' ' ILE . 7.5 t90 -108.04 99.7 9.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 41.2 m -97.35 120.29 37.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.134 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.55 HD11 ' CZ2' ' A' ' 16' ' ' TRP . 34.3 mt -102.92 99.99 9.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.37 135.63 57.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.477 ' N ' ' O ' ' A' ' 133' ' ' ASP . 46.3 t-20 57.21 51.66 9.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -57.11 -11.91 1.87 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.3 t -71.1 -28.04 64.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.824 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.658 ' CD1' ' C ' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -72.89 -33.12 65.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.858 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 63.4 m -40.99 98.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.2 tpt180 -116.74 37.53 3.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.427 ' HG3' ' CB ' ' A' ' 30' ' ' GLU . 6.1 tp10 -48.01 120.3 3.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -49.56 170.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 5.5 tpt -62.05 135.04 57.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.863 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.2 -46.51 3.65 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.501 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.427 ' CB ' ' HG3' ' A' ' 26' ' ' GLU . 68.3 mm-40 -46.36 167.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.862 0.363 . . . . 0.0 110.895 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.616 HG21 ' HB3' ' A' ' 50' ' ' ARG . 12.8 p -153.67 150.77 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 68.2 mt -92.52 103.43 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.148 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? -87.12 109.87 19.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 84.1 p -72.02 156.79 38.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.2 t -52.86 -174.83 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 43.6 p -98.65 127.19 44.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.188 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -124.95 151.03 45.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 99.4 p -132.81 -178.5 4.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.791 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.4 t -72.63 -50.78 22.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.835 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -145.74 -133.57 2.57 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.538 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.424 ' O ' ' N ' ' A' ' 43' ' ' ASP . . . -40.24 154.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.827 0.346 . . . . 0.0 111.08 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -41.19 95.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 41' ' ' ALA . 53.7 m-20 -96.68 130.16 43.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.83 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt -43.74 -44.97 6.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.743 HD21 ' HZ2' ' A' ' 47' ' ' TRP . 44.0 tp -74.15 125.68 28.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -121.23 168.88 11.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.743 ' HZ2' HD21 ' A' ' 45' ' ' LEU . 49.8 m95 -149.41 147.46 28.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.938 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.5 p -137.59 153.51 49.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.52 HD22 HD21 ' A' ' 66' ' ' LEU . 29.5 mt -110.78 135.95 50.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.616 ' HB3' HG21 ' A' ' 31' ' ' VAL . 35.7 mtp180 -111.23 106.43 15.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.839 HG13 HD11 ' A' ' 64' ' ' LEU . 74.0 t -108.01 131.29 58.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.574 ' O ' HD22 ' A' ' 64' ' ' LEU . 0.5 OUTLIER -119.95 101.8 47.3 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.582 0.706 . . . . 0.0 110.906 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.488 ' HA ' ' CD2' ' A' ' 64' ' ' LEU . 53.5 Cg_endo -69.8 -28.84 24.57 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.713 2.275 . . . . 0.0 112.304 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.3 tttm -96.94 -11.35 24.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.885 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.93 160.34 20.77 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.484 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 85.0 mt -72.91 -54.81 7.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.843 0.354 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -126.77 166.35 17.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -53.66 -15.14 1.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -68.48 -42.34 78.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 51.4 p -124.53 51.15 1.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.854 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.3 ptmt -94.04 -34.12 13.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 62' ' ' ASP . 18.4 p-10 -74.18 -22.12 59.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.851 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.597 ' CD2' ' HG2' ' A' ' 115' ' ' LYS . 14.3 m-85 -105.95 170.43 7.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.839 HD11 HG13 ' A' ' 51' ' ' VAL . 2.7 tm? -96.7 125.9 41.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.919 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.429 ' N ' HD13 ' A' ' 64' ' ' LEU . 1.1 t -102.55 110.64 22.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.724 ' HG ' HG22 ' A' ' 51' ' ' VAL . 5.8 tt -119.73 115.77 24.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -121.5 147.59 45.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.817 HD22 ' HB3' ' A' ' 82' ' ' PHE . 15.9 tp -97.36 114.61 26.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.954 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.68 HD12 ' O ' ' A' ' 109' ' ' LYS . 6.9 tp -107.35 147.95 29.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.956 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.864 HD21 ' HB3' ' A' ' 73' ' ' CYS . 35.7 tp -96.37 88.75 4.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.569 HG13 ' H ' ' A' ' 72' ' ' SER . 0.2 OUTLIER -41.45 -65.65 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.835 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.569 ' H ' HG13 ' A' ' 71' ' ' VAL . 4.4 m -143.21 144.75 32.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.864 ' HB3' HD21 ' A' ' 70' ' ' LEU . 27.1 p -134.96 143.45 46.19 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.645 0.736 . . . . 0.0 110.851 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.497 ' HD2' HD13 ' A' ' 45' ' ' LEU . 53.8 Cg_endo -69.77 -49.51 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.642 2.228 . . . . 0.0 112.362 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.2 pttm -93.29 164.39 13.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.868 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.7 t -45.89 -61.69 1.63 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -128.32 158.44 38.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.5 p -143.24 140.28 26.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.138 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.533 ' O ' HG22 ' A' ' 144' ' ' VAL . 35.4 mtp180 -106.35 130.3 54.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -161.44 153.35 19.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.05 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.485 ' CD ' ' HB2' ' A' ' 102' ' ' ALA . 0.8 OUTLIER -107.41 136.96 46.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.817 ' HB3' HD22 ' A' ' 68' ' ' LEU . 31.5 p90 -115.95 159.43 21.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.403 ' C ' ' HD2' ' A' ' 83' ' ' LYS . 1.4 tmmt? -147.66 116.43 6.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -97.92 128.59 44.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.433 ' CB ' ' HB2' ' A' ' 96' ' ' ALA . 85.0 p -141.7 167.52 21.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.406 HD11 ' CE2' ' A' ' 116' ' ' PHE . 19.9 mt -126.03 133.45 68.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.0 mt -97.81 101.22 12.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.972 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.598 ' ND2' ' H ' ' A' ' 92' ' ' GLU . 0.3 OUTLIER -58.97 -175.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.48 -26.24 41.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.424 ' CB ' ' HG3' ' A' ' 92' ' ' GLU . 7.1 mptt -88.05 12.31 13.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.43 24.92 47.89 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.5 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.598 ' H ' ' ND2' ' A' ' 88' ' ' ASN . 6.5 mt-10 -105.97 140.47 38.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.841 0.353 . . . . 0.0 110.879 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -58.62 131.24 50.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.7 t -145.29 146.38 31.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.143 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.455 ' HE3' ' CE2' ' A' ' 121' ' ' PHE . 29.4 mmtt 48.98 47.56 21.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.433 ' HB2' ' CB ' ' A' ' 85' ' ' SER . . . -94.26 154.77 17.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.064 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.63 ' HE2' ' CD2' ' A' ' 113' ' ' PHE . 5.0 ptp -122.43 120.51 34.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -98.35 166.43 11.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 40.9 t -118.08 155.88 29.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.817 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -78.32 -59.39 2.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.937 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 78.4 mtt180 -131.62 -175.75 3.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.485 ' HB2' ' CD ' ' A' ' 81' ' ' LYS . . . -93.41 145.02 24.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.08 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -106.55 173.99 6.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -84.72 110.58 18.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.449 ' CZ ' HD23 ' A' ' 68' ' ' LEU . 25.0 m-85 -102.51 117.23 34.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.439 HG22 ' HB2' ' A' ' 109' ' ' LYS . 16.9 m -124.65 147.66 29.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -42.2 99.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 108.23 19.8 8.7 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.541 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.68 ' O ' HD12 ' A' ' 69' ' ' LEU . 14.6 tptt -104.69 143.19 33.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.799 0.333 . . . . 0.0 110.936 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -128.39 124.11 35.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.854 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 66.3 m95 -137.16 135.33 37.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.959 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 169.72 -153.69 22.14 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.428 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.63 ' CD2' ' HE2' ' A' ' 97' ' ' MET . 2.3 m-85 -114.11 153.08 30.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.93 0.395 . . . . 0.0 110.849 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 27.4 tttp -83.71 -55.84 4.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.91 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.597 ' HG2' ' CD2' ' A' ' 63' ' ' TYR . 2.6 mptt -101.48 95.16 6.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.406 ' CE2' HD11 ' A' ' 86' ' ' ILE . 11.0 t80 -79.99 -47.15 15.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.706 HD11 ' CD2' ' A' ' 121' ' ' PHE . 3.2 tt -174.62 145.26 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.109 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.538 ' HG2' ' CD1' ' A' ' 63' ' ' TYR . 15.9 mtt85 -57.32 120.13 7.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 10.2 ttp180 -49.23 -40.16 32.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -61.98 -39.56 92.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.743 ' CZ ' ' ND2' ' A' ' 127' ' ' ASN . 37.1 t80 -59.03 -24.0 62.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.441 HD21 ' CG2' ' A' ' 117' ' ' ILE . 10.6 mt -77.42 -61.7 1.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.802 HD13 HD12 ' A' ' 130' ' ' LEU . 3.1 mm? -59.86 -27.27 66.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -54.01 127.36 26.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -69.32 -36.53 77.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -43.99 -35.49 2.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.132 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.743 ' ND2' ' CZ ' ' A' ' 121' ' ' PHE . 1.7 m120 -90.98 -30.81 16.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 69.46 3.16 38.54 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.45 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.646 ' O ' HD23 ' A' ' 130' ' ' LEU . 0.8 OUTLIER -41.05 -28.2 0.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.818 0.342 . . . . 0.0 110.942 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.802 HD12 HD13 ' A' ' 123' ' ' LEU . 6.0 mt -128.96 84.5 62.89 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.621 0.724 . . . . 0.0 110.94 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -31.15 21.15 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.684 2.256 . . . . 0.0 112.362 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -120.92 24.82 10.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' ' 20' ' ' ASN . 7.6 m-20 65.22 31.78 10.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -126.42 129.46 48.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 50.0 tp -92.8 96.32 10.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 85.9 m -75.81 95.31 3.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.404 HD13 HD11 ' A' ' 66' ' ' LEU . 15.2 mt -90.18 112.22 23.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.896 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -100.89 104.94 16.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 29.9 t -107.36 144.99 33.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -131.12 124.52 30.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 40.9 t -112.66 136.18 49.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.105 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -121.95 111.29 16.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.567 ' O ' HG23 ' A' ' 9' ' ' VAL . 67.7 t -85.84 120.21 35.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.195 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.74 HG23 ' O ' ' A' ' 144' ' ' VAL . 28.7 m -81.93 96.96 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.162 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -123.5 161.21 25.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -60.49 158.1 12.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 2.4 m -66.71 91.94 0.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.818 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -81.03 -34.7 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.121 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 38.42 41.38 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 29.6 mm -88.85 90.86 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 77.5 p -157.87 137.04 11.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.849 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 174.38 -66.56 0.11 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.517 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 39.9 tp60 -164.08 129.26 2.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.794 0.33 . . . . 0.0 110.939 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 21.4 t -50.32 135.86 21.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' GLY . . . . . 0.4 ' HA3' ' HD2' ' A' ' 156' ' ' PRO . . . -87.12 -148.28 13.1 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.473 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 156' ' ' PRO . . . . . 0.4 ' HD2' ' HA3' ' A' ' 155' ' ' GLY . 53.9 Cg_endo -69.75 -17.35 37.67 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.705 2.27 . . . . 0.0 112.39 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 23.3 m -76.49 157.03 32.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 15.3 t -155.43 153.07 29.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.802 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.47 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.9 t -150.82 134.68 16.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.914 0.388 . . . . 0.0 110.811 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.8 m 39.08 49.08 1.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.825 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.97 -56.03 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.528 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.426 ' HB2' ' N ' ' A' ' 146' ' ' ASP . 88.9 p -174.89 110.16 0.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.897 0.379 . . . . 0.0 110.85 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -135.13 148.37 49.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.85 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.17 -110.65 1.92 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.4 tptm -63.87 144.48 57.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.857 0.36 . . . . 0.0 110.863 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 143' ' ' VAL . 7.1 p -141.41 126.91 18.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 79.6 t -99.24 110.51 26.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.122 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.39 158.12 25.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.923 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -145.78 149.82 35.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.515 ' HB2' ' CZ ' ' A' ' 138' ' ' PHE . 81.0 p -110.01 137.54 47.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -132.36 117.39 18.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 36.4 ttm -89.01 113.0 24.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.468 ' CZ2' HD11 ' A' ' 18' ' ' ILE . 9.7 t90 -105.5 99.93 9.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.7 m -91.58 110.87 22.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.196 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.468 HD11 ' CZ2' ' A' ' 16' ' ' TRP . 23.8 mt -94.67 99.84 10.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.16 136.59 50.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 24.8 m-20 61.67 46.71 6.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.635 ' HZ ' HD12 ' A' ' 64' ' ' LEU . 73.0 t80 -61.24 -18.73 59.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 60.0 p -93.89 17.51 12.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -124.68 -3.16 7.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 26' ' ' GLU . 56.5 m -59.43 -23.83 62.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 24' ' ' CYS . 32.9 mmt180 33.46 35.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 24' ' ' CYS . 4.3 tt0 -50.24 155.74 0.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.426 ' HG2' ' CG ' ' A' ' 30' ' ' GLU . 6.4 pt-20 -97.29 -178.32 4.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.1 tpt -84.67 105.23 15.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 108.9 28.32 4.52 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.485 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.426 ' CG ' ' HG2' ' A' ' 27' ' ' GLU . 7.3 mm-40 -127.32 163.7 23.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.851 0.358 . . . . 0.0 110.932 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.657 HG23 ' CG ' ' A' ' 52' ' ' ASN . 5.2 p -141.42 162.89 21.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.422 ' N ' HG22 ' A' ' 31' ' ' VAL . 64.7 mt -114.23 116.6 53.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.151 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.3 mttt -96.85 131.22 43.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 95.8 p -94.67 -178.37 4.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 m -69.93 173.69 6.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.858 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 72.3 p -97.84 125.73 42.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.105 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.421 ' CD1' ' N ' ' A' ' 37' ' ' PHE . 3.1 p90 -122.21 145.8 47.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.851 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.479 ' HB3' ' CE ' ' A' ' 46' ' ' LYS . 61.0 p -138.09 151.92 48.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.4 t -42.85 -38.18 2.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.16 43.86 3.95 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.502 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 42' ' ' ASN . . . -131.66 74.4 1.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.856 0.36 . . . . 0.0 111.087 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 41' ' ' ALA . 13.6 m-80 36.68 51.17 0.89 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -119.2 173.11 7.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 41.5 mmtt -122.38 -27.21 4.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.944 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.654 HD21 ' CZ2' ' A' ' 47' ' ' TRP . 44.1 tp -54.41 123.74 13.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.479 ' CE ' ' HB3' ' A' ' 38' ' ' SER . 3.5 mmpt? -111.15 167.99 9.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.887 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.654 ' CZ2' HD21 ' A' ' 45' ' ' LEU . 73.9 m95 -147.6 148.83 31.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 24.4 t -143.79 151.74 40.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.481 HD22 HD21 ' A' ' 66' ' ' LEU . 81.2 mt -109.09 142.98 39.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.559 ' HB3' HG21 ' A' ' 31' ' ' VAL . 46.5 mtp180 -118.01 104.73 11.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.654 HG22 ' HG ' ' A' ' 66' ' ' LEU . 50.2 t -103.91 145.05 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.123 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.657 ' CG ' HG23 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -134.99 102.09 11.19 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.663 0.744 . . . . 0.0 110.831 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 52' ' ' ASN . 53.4 Cg_endo -69.82 -4.91 15.03 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.716 2.278 . . . . 0.0 112.341 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.0 tttt -130.36 0.8 4.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 70.06 -167.68 48.55 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.505 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.632 HD22 ' N ' ' A' ' 56' ' ' LEU . 1.9 mm? -97.01 -43.56 7.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.794 0.33 . . . . 0.0 110.94 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.49 ' CG ' ' N ' ' A' ' 58' ' ' GLU . 13.8 t70 -133.51 171.78 13.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.49 ' N ' ' CG ' ' A' ' 57' ' ' ASP . 10.8 mp0 -52.03 -24.42 6.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -53.91 -60.61 3.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.886 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 18.8 t -105.29 50.44 0.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -87.4 -32.48 19.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -72.08 -43.69 64.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.434 ' CD1' ' HG2' ' A' ' 115' ' ' LYS . 0.2 OUTLIER -93.33 167.13 11.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.827 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.635 HD12 ' HZ ' ' A' ' 21' ' ' PHE . 9.1 tt -94.76 149.46 21.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.914 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.471 ' N ' HD23 ' A' ' 64' ' ' LEU . 1.8 t -116.65 125.55 51.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.807 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.654 ' HG ' HG22 ' A' ' 51' ' ' VAL . 5.1 tt -129.87 114.6 16.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -119.43 144.47 46.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.745 HD22 ' HB3' ' A' ' 82' ' ' PHE . 16.8 tp -94.13 106.34 18.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.923 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.678 HD12 ' O ' ' A' ' 109' ' ' LYS . 7.1 tp -99.21 145.4 27.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.845 HD21 ' HB3' ' A' ' 73' ' ' CYS . 47.5 tp -93.73 84.09 4.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.549 HG13 ' H ' ' A' ' 72' ' ' SER . 0.2 OUTLIER -35.26 -65.66 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 179.895 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.549 ' H ' HG13 ' A' ' 71' ' ' VAL . 8.7 m -145.85 145.68 30.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.845 ' HB3' HD21 ' A' ' 70' ' ' LEU . 30.4 p -139.16 140.9 27.82 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.592 0.711 . . . . 0.0 110.926 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -47.97 0.83 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.662 2.241 . . . . 0.0 112.389 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.6 pttt -90.91 157.25 17.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 70.8 m -43.17 -66.69 0.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -120.78 159.72 24.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.864 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.5 p -150.5 134.95 9.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.155 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.653 ' O ' HG22 ' A' ' 144' ' ' VAL . 40.7 mtt180 -104.27 135.96 44.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.868 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -160.66 156.22 25.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.174 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.413 ' HG3' ' HB2' ' A' ' 102' ' ' ALA . 36.4 mttm -103.92 138.73 40.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.745 ' HB3' HD22 ' A' ' 68' ' ' LEU . 51.8 p90 -124.83 154.52 40.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.0 tmmm? -147.86 120.31 8.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -98.11 141.96 30.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.58 ' HB2' ' HB2' ' A' ' 96' ' ' ALA . 18.0 p -156.37 145.68 20.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.549 HD11 HG21 ' A' ' 117' ' ' ILE . 47.6 mt -106.12 123.92 61.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.112 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.0 mt -88.55 115.34 26.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.445 ' C ' ' OD1' ' A' ' 88' ' ' ASN . 37.4 p30 -65.75 -176.67 0.39 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -52.73 -36.82 58.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.108 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.465 ' HD2' ' N ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -85.09 17.28 3.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 57.76 27.91 59.65 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.494 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -99.91 134.24 43.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.817 0.342 . . . . 0.0 110.866 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -58.35 133.75 55.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.459 HG22 ' O ' ' A' ' 86' ' ' ILE . 4.0 t -155.37 141.37 18.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.126 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.43 ' HB3' HD12 ' A' ' 117' ' ' ILE . 20.1 mmmt 59.75 40.16 19.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.58 ' HB2' ' HB2' ' A' ' 85' ' ' SER . . . -91.66 162.22 14.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.048 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.457 ' HE3' ' CD1' ' A' ' 113' ' ' PHE . 23.5 mtm -139.91 140.86 36.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -115.2 162.76 16.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.5 t -103.01 147.4 26.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -59.44 -42.67 92.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 46.5 ptt85 -162.85 174.56 12.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.413 ' HB2' ' HG3' ' A' ' 81' ' ' LYS . . . -68.62 153.86 42.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.083 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -123.07 170.85 9.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 48.3 ttt-85 -89.69 108.86 19.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.47 ' CZ ' HD23 ' A' ' 68' ' ' LEU . 63.1 m-85 -98.62 150.15 22.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.87 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.508 HG22 ' HB2' ' A' ' 109' ' ' LYS . 13.2 m -152.65 148.25 14.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.136 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -39.19 97.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.945 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 106' ' ' VAL . . . 105.29 22.28 8.32 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.483 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.678 ' O ' HD12 ' A' ' 69' ' ' LEU . 11.4 tptt -101.88 142.12 33.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.819 0.343 . . . . 0.0 110.866 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -128.27 123.37 33.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.871 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 77.4 m95 -134.23 131.89 39.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 171.69 -152.89 18.71 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.457 ' CD1' ' HE3' ' A' ' 97' ' ' MET . 15.4 m-85 -123.82 144.89 49.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.92 0.39 . . . . 0.0 110.869 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 24.4 tttp -72.14 -56.25 5.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.936 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.434 ' HG2' ' CD1' ' A' ' 63' ' ' TYR . 16.9 mttp -98.28 94.54 6.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.677 ' CD2' HG22 ' A' ' 117' ' ' ILE . 14.4 t80 -80.95 -56.09 4.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.677 HG22 ' CD2' ' A' ' 116' ' ' PHE . 3.0 tt -161.62 147.4 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.099 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.431 ' HG2' ' CD2' ' A' ' 63' ' ' TYR . 16.3 mtt180 -57.75 118.44 5.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 16.2 ttp180 -51.52 -32.77 29.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -63.0 -38.39 90.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.531 ' CZ ' ' OD1' ' A' ' 127' ' ' ASN . 6.1 t80 -58.63 -36.44 74.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.784 ' HA ' HD12 ' A' ' 129' ' ' LEU . 6.5 mp -69.11 -54.44 14.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.928 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.3 mt -67.73 -22.05 65.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.474 ' OD2' ' HB3' ' A' ' 126' ' ' ALA . 19.4 t70 -54.98 158.95 2.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -99.76 -32.73 10.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.474 ' HB3' ' OD2' ' A' ' 124' ' ' ASP . . . -52.25 -31.9 34.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.531 ' OD1' ' CZ ' ' A' ' 121' ' ' PHE . 41.0 m-20 -94.16 -32.78 13.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 58.03 42.08 94.8 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.518 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.784 HD12 ' HA ' ' A' ' 122' ' ' LEU . 69.6 mt -73.58 -20.01 60.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.848 0.356 . . . . 0.0 110.957 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.74 HD23 ' O ' ' A' ' 129' ' ' LEU . 1.9 mt -130.12 81.08 69.59 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.616 0.722 . . . . 0.0 110.923 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -21.4 33.24 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.656 2.238 . . . . 0.0 112.337 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -129.62 26.59 5.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 64.69 25.35 13.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 2.6 ptpt -123.48 132.86 54.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 15.1 tp -97.52 114.18 26.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 93.2 m -90.68 95.83 10.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.206 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 10.5 mt -93.6 113.57 25.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' PHE . . . . . 0.515 ' CZ ' ' HB2' ' A' ' 13' ' ' SER . 17.2 t80 -99.5 105.89 17.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 29.6 t -106.95 146.09 31.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -130.32 114.3 15.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 20.3 t -103.72 133.88 46.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 11.1 m -120.81 111.96 18.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.822 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.493 ' O ' HG23 ' A' ' 9' ' ' VAL . 97.4 t -86.27 127.17 40.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.104 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' ' 144' ' ' VAL . 25.4 m -88.51 100.04 9.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.127 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -123.26 138.33 54.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' ASP . . . . . 0.426 ' N ' ' HB2' ' A' ' 5' ' ' SER . 29.7 p-10 -38.78 152.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 58.2 p -56.6 111.2 0.94 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.439 ' O ' HG23 ' A' ' 148' ' ' VAL . 35.1 m -143.56 125.13 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.127 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -77.05 152.02 35.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 23.9 mt -98.27 101.16 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.136 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 24.6 t -103.64 113.72 27.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 154.98 -138.31 6.06 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.523 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 51.8 mm-40 -121.92 146.8 46.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.808 0.337 . . . . 0.0 110.927 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.2 m -51.66 -53.36 39.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 132.08 -153.52 20.57 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.496 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 139.01 39.2 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.705 2.27 . . . . 0.0 112.354 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 73.2 p -54.87 -58.49 7.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.842 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 78.5 p -125.95 145.11 50.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.452 179.973 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.1 m -141.67 -175.49 4.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.889 0.376 . . . . 0.0 110.834 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -114.23 171.9 7.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.0 173.96 37.16 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.471 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.8 t -170.71 145.67 2.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.859 0.362 . . . . 0.0 110.87 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 t -94.24 -55.11 3.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.818 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.71 -102.7 0.17 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.508 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 50.6 tttt -77.06 146.44 37.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.821 0.343 . . . . 0.0 110.928 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.8 p -139.43 129.84 31.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 90.2 t -88.13 103.72 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.16 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.16 155.39 30.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -141.05 145.8 36.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.574 ' HB2' ' CZ ' ' A' ' 138' ' ' PHE . 85.3 p -107.84 126.6 52.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.552 ' CD1' ' HB3' ' A' ' 37' ' ' PHE . 87.9 t80 -118.44 109.65 16.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 28.1 ttm -89.81 121.04 31.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.474 ' CZ2' HD11 ' A' ' 18' ' ' ILE . 9.5 t90 -120.19 105.89 11.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 97.3 m -94.02 129.09 40.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.086 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.474 HD11 ' CZ2' ' A' ' 16' ' ' TRP . 44.6 mt -111.74 98.46 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.22 138.34 57.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.4 ' OD1' ' N ' ' A' ' 20' ' ' ASN . 0.9 OUTLIER 60.05 49.19 7.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.852 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 53' ' ' PRO . 66.8 t80 -57.18 -25.56 59.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.848 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.0 p -79.3 -13.9 59.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.404 ' O ' ' C ' ' A' ' 24' ' ' CYS . 3.3 m-85 -95.05 16.79 15.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.869 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' PHE . 15.7 p -37.25 116.19 0.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.872 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 26' ' ' GLU . 16.5 tpt180 -85.22 -48.97 8.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 25' ' ' ARG . 8.2 mm-40 -35.97 141.63 0.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 28' ' ' MET . 3.1 tt0 -93.63 154.74 17.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.435 ' C ' ' O ' ' A' ' 27' ' ' GLU . 12.3 tpp -34.97 136.89 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.7 -42.12 2.69 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.472 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.48 ' O ' ' ND2' ' A' ' 52' ' ' ASN . 12.6 mp0 -69.99 138.27 52.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 110.915 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.529 HG21 ' HB3' ' A' ' 50' ' ' ARG . 14.4 p -117.34 144.39 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.083 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 18.5 mt -88.85 105.79 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.8 mtmm -88.84 115.3 26.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 57.3 p -74.76 -177.67 3.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.3 p -73.39 170.6 14.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.797 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 70.6 p -87.64 130.13 34.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.156 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.552 ' HB3' ' CD1' ' A' ' 14' ' ' TYR . 6.5 p90 -119.74 155.52 32.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.919 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 56.3 p -137.65 -178.87 5.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.6 t -71.27 -58.95 3.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -174.39 -82.59 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.49 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 43' ' ' ASP . . . -55.66 167.66 0.51 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.767 0.317 . . . . 0.0 111.146 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 31.5 m-20 -49.54 89.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.956 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 41' ' ' ALA . 9.9 t0 -103.56 106.07 16.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.8 mmtp -53.59 -39.3 64.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.486 HD22 ' NE1' ' A' ' 47' ' ' TRP . 2.1 tt -66.02 127.31 31.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.55 ' C ' ' CG1' ' A' ' 71' ' ' VAL . 37.8 mmtm -117.63 156.38 28.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.494 ' HA ' HG12 ' A' ' 71' ' ' VAL . 70.2 m95 -132.02 151.02 51.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.479 ' SG ' HD23 ' A' ' 69' ' ' LEU . 14.5 p -138.88 154.64 48.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.848 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.483 HD23 HD22 ' A' ' 68' ' ' LEU . 12.4 mt -114.69 132.64 56.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.968 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.529 ' HB3' HG21 ' A' ' 31' ' ' VAL . 23.3 mtp180 -109.09 104.69 13.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.835 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.816 HG22 HD13 ' A' ' 66' ' ' LEU . 94.3 t -112.91 136.29 49.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.601 ' O ' HD22 ' A' ' 64' ' ' LEU . 5.2 t-20 -131.17 101.85 16.1 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.606 0.717 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.57 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 53.7 Cg_endo -69.74 -2.21 9.77 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.676 2.251 . . . . 0.0 112.363 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.413 ' HD3' ' N ' ' A' ' 28' ' ' MET . 26.0 tttt -124.07 6.96 8.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 61.47 -165.94 16.75 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.492 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 18.4 mt -112.57 -44.26 3.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.813 0.34 . . . . 0.0 110.89 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 0.2 OUTLIER -121.15 153.25 37.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.861 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -48.27 -20.6 0.4 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -68.75 -64.22 0.91 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.418 ' CB ' ' HD3' ' A' ' 115' ' ' LYS . 79.7 p -89.81 32.82 0.87 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.478 ' CG ' ' N ' ' A' ' 62' ' ' ASP . 10.1 ptmt -78.57 -46.64 18.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.478 ' N ' ' CG ' ' A' ' 61' ' ' LYS . 29.1 m-20 -63.66 -20.18 65.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.574 ' CE2' ' HG3' ' A' ' 118' ' ' ARG . 75.2 m-85 -105.45 160.69 14.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.614 HD13 ' N ' ' A' ' 65' ' ' SER . 2.8 tm? -89.68 125.59 35.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.614 ' N ' HD13 ' A' ' 64' ' ' LEU . 32.4 t -98.43 112.31 24.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.816 HD13 HG22 ' A' ' 51' ' ' VAL . 23.1 tp -123.96 123.02 39.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.924 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -127.37 149.32 50.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.483 HD22 HD23 ' A' ' 49' ' ' LEU . 0.7 OUTLIER -95.46 109.07 21.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.914 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.951 HD12 ' O ' ' A' ' 109' ' ' LYS . 7.0 tp -102.3 143.16 32.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.71 HD21 ' HB3' ' A' ' 73' ' ' CYS . 40.5 tp -92.95 82.71 4.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.65 HG13 ' H ' ' A' ' 72' ' ' SER . 1.3 p -34.03 -59.86 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.144 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.65 ' H ' HG13 ' A' ' 71' ' ' VAL . 45.4 t -152.37 156.88 40.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.71 ' HB3' HD21 ' A' ' 70' ' ' LEU . 28.7 p -148.13 142.68 16.72 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.584 0.707 . . . . 0.0 110.911 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -51.11 0.4 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.638 2.225 . . . . 0.0 112.375 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.0 pttm -90.6 167.93 12.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.3 t -45.28 -62.41 1.27 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.479 ' CB ' HG12 ' A' ' 106' ' ' VAL . 5.0 pt-20 -132.33 160.52 36.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.5 p -139.12 150.36 23.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.137 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.624 ' O ' HG22 ' A' ' 144' ' ' VAL . 20.6 mtt180 -114.77 127.68 55.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -153.88 161.38 42.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.681 ' HG3' ' HB2' ' A' ' 102' ' ' ALA . 61.6 mttt -109.93 121.92 46.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 22.4 p90 -106.32 148.82 27.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.404 ' C ' ' HD2' ' A' ' 83' ' ' LYS . 1.1 tmmt? -141.08 124.66 16.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -101.63 133.81 45.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 60.7 p -147.63 166.44 27.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.454 HD11 HG21 ' A' ' 117' ' ' ILE . 19.1 mt -129.33 132.02 67.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.9 mt -94.59 110.97 22.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.935 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.618 ' ND2' ' H ' ' A' ' 92' ' ' GLU . 0.6 OUTLIER -65.53 -174.93 0.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -52.66 -35.04 54.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.14 14.8 3.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.927 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.66 23.59 44.43 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.444 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.618 ' H ' ' ND2' ' A' ' 88' ' ' ASN . 24.3 mt-10 -101.27 139.05 37.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.809 0.338 . . . . 0.0 110.877 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -57.24 133.86 55.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.861 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.434 HG23 ' HG2' ' A' ' 95' ' ' LYS . 5.7 t -153.89 150.02 27.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.194 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.483 ' HE3' ' CE2' ' A' ' 121' ' ' PHE . 0.0 OUTLIER 49.94 49.94 19.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.868 179.903 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -102.17 158.29 16.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.462 ' CE ' ' CG ' ' A' ' 113' ' ' PHE . 19.0 mtm -130.75 132.76 45.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -106.67 170.29 8.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.8 m -115.36 160.83 19.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.843 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -76.28 -66.12 0.84 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 24.0 ttt-85 -136.75 140.92 42.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.825 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.681 ' HB2' ' HG3' ' A' ' 81' ' ' LYS . . . -43.2 146.95 0.39 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.065 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -108.21 160.02 16.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 18.2 ttt180 -74.47 98.84 3.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.493 ' CE1' ' HB2' ' A' ' 111' ' ' TRP . 13.5 m-85 -87.4 149.11 24.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.615 ' C ' HD23 ' A' ' 70' ' ' LEU . 11.4 m -151.59 164.58 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.108 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -53.29 119.43 4.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 80.31 18.12 72.29 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.537 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.951 ' O ' HD12 ' A' ' 69' ' ' LEU . 19.5 tptt -89.98 158.66 17.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.764 0.316 . . . . 0.0 110.886 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -144.35 123.52 12.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.493 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 77.8 m95 -134.62 124.78 25.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 179.37 -158.43 22.37 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.455 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.462 ' CG ' ' CE ' ' A' ' 97' ' ' MET . 2.9 m-85 -116.61 162.95 16.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.934 0.397 . . . . 0.0 110.865 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 25.4 tttt -88.98 -46.42 8.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.419 ' HD2' ' CD1' ' A' ' 63' ' ' TYR . 8.9 mmtm -110.11 92.73 4.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -79.42 -49.97 11.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.733 HD11 ' CD2' ' A' ' 121' ' ' PHE . 3.2 tt -171.59 147.46 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.574 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 21.0 mtm180 -59.15 112.94 1.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.456 ' HA ' HD13 ' A' ' 122' ' ' LEU . 15.5 ttp180 -45.79 -35.64 4.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.17 -35.57 80.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.733 ' CD2' HD11 ' A' ' 117' ' ' ILE . 49.8 t80 -61.15 -26.04 67.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.839 HD23 HD13 ' A' ' 135' ' ' LEU . 5.9 mp -75.64 -54.04 7.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.601 HD22 ' N ' ' A' ' 123' ' ' LEU . 1.9 mm? -82.64 21.45 0.99 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -87.99 158.16 18.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -93.22 -34.3 13.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.08 -43.43 70.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.086 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.584 ' OD1' ' CZ ' ' A' ' 121' ' ' PHE . 12.7 m-80 -92.61 -47.53 7.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 74.43 42.9 32.52 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.526 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.629 HD23 ' O ' ' A' ' 121' ' ' PHE . 3.1 mm? -60.11 -25.77 65.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.9 0.381 . . . . 0.0 110.961 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.464 HD23 ' N ' ' A' ' 134' ' ' LYS . 5.8 mp -124.59 93.04 46.98 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.581 0.705 . . . . 0.0 110.919 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -21.9 32.9 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.67 2.247 . . . . 0.0 112.326 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -129.7 25.7 5.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.831 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 63.75 37.67 9.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.464 ' N ' HD23 ' A' ' 130' ' ' LEU . 3.8 ptpt -134.43 128.37 33.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.839 HD13 HD23 ' A' ' 122' ' ' LEU . 18.1 tp -88.23 115.19 25.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 73.4 m -99.47 96.94 8.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.137 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.453 ' CD1' HG21 ' A' ' 51' ' ' VAL . 8.1 mt -89.46 123.22 33.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' PHE . . . . . 0.574 ' CZ ' ' HB2' ' A' ' 13' ' ' SER . 19.3 t80 -108.98 105.91 15.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' CYS . . . . . 0.444 ' CB ' HD11 ' A' ' 49' ' ' LEU . 42.5 t -106.36 136.75 45.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -121.81 113.48 19.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 59.1 t -105.75 131.44 55.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 15.1 m -118.73 117.66 29.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.838 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 57.7 t -88.74 120.27 37.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.123 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.624 HG22 ' O ' ' A' ' 79' ' ' ARG . 34.7 m -73.76 128.28 36.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.129 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -125.23 164.1 21.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.931 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -121.9 -10.19 8.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.893 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 5.2 t -76.05 48.92 0.52 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 35.3 m -88.14 40.77 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.107 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -117.76 -60.8 1.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 73.2 mt -48.52 98.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.15 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 73.8 m -141.29 119.52 12.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . -66.04 168.81 32.55 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.506 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -54.83 126.74 25.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.8 0.333 . . . . 0.0 110.885 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 35.9 t -62.4 133.84 55.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -87.55 -166.79 42.87 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.451 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 146.62 60.53 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.666 2.244 . . . . 0.0 112.352 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 2.3 t -139.61 160.16 40.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.864 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 3.3 m -99.07 156.22 17.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.821 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.485 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.1 p -88.36 -44.36 10.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.85 0.357 . . . . 0.0 110.853 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.0 m -85.75 89.67 7.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.72 103.67 0.2 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.436 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.1 t -66.42 92.82 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.871 0.367 . . . . 0.0 110.839 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -71.05 118.43 13.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.76 -90.66 0.12 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.494 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 69.7 tttt -64.76 148.33 51.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.806 0.336 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.499 HG22 ' HD2' ' A' ' 11' ' ' LYS . 2.4 p -140.44 127.39 22.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.124 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 94.3 t -91.07 96.98 6.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.136 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.499 ' HD2' HG22 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -90.59 158.6 16.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.579 ' CE2' ' HB ' ' A' ' 141' ' ' VAL . 5.0 p90 -167.97 137.67 2.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.883 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.414 ' HB2' ' CE1' ' A' ' 138' ' ' PHE . 59.9 p -111.63 153.24 26.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.735 ' CD2' ' CD2' ' A' ' 37' ' ' PHE . 16.3 t80 -139.03 117.65 12.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.934 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 29.0 ttm -86.94 124.55 33.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.55 ' CZ2' HD11 ' A' ' 18' ' ' ILE . 11.3 t90 -123.47 103.14 8.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.519 HG22 ' HB3' ' A' ' 134' ' ' LYS . 7.4 m -94.06 117.77 30.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.55 HD11 ' CZ2' ' A' ' 16' ' ' TRP . 78.0 mt -97.4 102.46 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -66.92 134.06 51.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' A' ' 20' ' ' ASN . 0.8 OUTLIER 64.8 44.97 3.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.544 ' HZ ' HD12 ' A' ' 64' ' ' LEU . 85.1 t80 -55.46 -31.5 62.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 78.6 p -69.42 -16.86 63.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.797 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.435 ' O ' ' C ' ' A' ' 24' ' ' CYS . 3.3 m-85 -92.51 16.6 11.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.435 ' C ' ' O ' ' A' ' 23' ' ' PHE . 2.7 p -34.87 104.13 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.882 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -90.88 -25.59 19.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -47.94 125.16 8.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.424 ' HB2' ' CG ' ' A' ' 30' ' ' GLU . 22.9 mm-40 -53.65 173.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.475 ' N ' ' HD3' ' A' ' 54' ' ' LYS . 2.2 ttm -53.35 -74.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.432 ' N ' ' CG ' ' A' ' 28' ' ' MET . . . -59.16 -43.75 96.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.455 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.424 ' CG ' ' HB2' ' A' ' 27' ' ' GLU . 7.0 mm-40 -42.77 164.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.913 0.387 . . . . 0.0 110.903 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 51' ' ' VAL . 7.6 p -146.79 143.91 20.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.09 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 25.3 mt -89.6 100.54 11.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.183 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.1 mttt -84.64 121.03 27.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 77.3 p -76.92 170.12 17.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.2 m -66.12 173.71 2.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.844 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 43.0 p -87.94 125.4 34.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.165 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.735 ' CD2' ' CD2' ' A' ' 14' ' ' TYR . 45.4 p90 -122.52 142.11 50.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.85 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.3 p -134.17 -178.58 5.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.839 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.4 p -49.88 -46.63 51.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.843 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 130.81 47.41 0.13 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.526 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -174.01 171.24 3.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.764 0.316 . . . . 0.0 111.128 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 33.9 p30 -48.82 102.65 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -146.81 171.15 15.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.2 mmtt -117.41 -34.37 4.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.538 ' C ' HD12 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -70.65 104.66 2.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.906 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.504 ' N ' HD12 ' A' ' 45' ' ' LEU . 51.0 mmtt -105.9 170.32 7.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 59.6 m95 -144.73 152.93 41.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.93 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.6 p -144.13 153.66 42.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.661 HD21 ' SG ' ' A' ' 139' ' ' CYS . 90.8 mt -110.25 137.25 48.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 49.6 mtp180 -112.11 103.6 11.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.835 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.822 HG13 HD21 ' A' ' 64' ' ' LEU . 76.5 t -106.57 144.24 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.151 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.531 ' ND2' ' N ' ' A' ' 52' ' ' ASN . 0.0 OUTLIER -134.47 102.35 11.69 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.665 0.745 . . . . 0.0 110.858 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 52' ' ' ASN . 53.5 Cg_endo -69.79 -44.03 2.3 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.671 2.248 . . . . 0.0 112.31 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.475 ' HD3' ' N ' ' A' ' 28' ' ' MET . 30.0 tttp -80.15 -3.33 48.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 68.42 150.79 0.3 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.424 HD22 ' N ' ' A' ' 56' ' ' LEU . 3.5 mm? -61.7 -55.87 25.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.83 0.348 . . . . 0.0 110.91 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.488 ' CG ' ' N ' ' A' ' 58' ' ' GLU . 14.6 t70 -136.09 171.54 14.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.488 ' N ' ' CG ' ' A' ' 57' ' ' ASP . 16.7 mp0 -52.44 -19.85 2.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -58.14 -46.05 86.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.5 p -124.09 50.41 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.7 ptmm? -84.89 -29.92 24.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -66.62 -56.88 8.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.548 ' CD2' ' HG2' ' A' ' 118' ' ' ARG . 0.3 OUTLIER -89.09 177.3 6.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.969 -179.879 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.822 HD21 HG13 ' A' ' 51' ' ' VAL . 9.1 tt -96.51 156.23 16.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.562 ' N ' HD23 ' A' ' 64' ' ' LEU . 7.4 t -117.36 114.5 23.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.825 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.631 ' HG ' HG22 ' A' ' 51' ' ' VAL . 6.0 tt -127.08 114.18 17.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.946 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -119.45 148.67 42.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.586 ' C ' HD13 ' A' ' 68' ' ' LEU . 2.0 tm? -92.36 107.18 19.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.919 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.629 HD12 ' O ' ' A' ' 109' ' ' LYS . 6.7 tp -102.32 152.69 20.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.923 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.767 HD21 ' HB3' ' A' ' 73' ' ' CYS . 15.8 tp -102.26 94.44 5.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.579 HG13 ' H ' ' A' ' 72' ' ' SER . 0.2 OUTLIER -47.54 -66.81 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 179.844 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.579 ' H ' HG13 ' A' ' 71' ' ' VAL . 22.9 t -143.36 143.63 31.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.892 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.767 ' HB3' HD21 ' A' ' 70' ' ' LEU . 31.4 p -136.1 142.67 40.97 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.584 0.707 . . . . 0.0 110.936 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -43.98 2.33 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.689 2.26 . . . . 0.0 112.334 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.3 pttm -97.8 159.01 15.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 t -45.81 -61.25 1.8 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.822 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -123.26 159.35 28.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.5 p -149.65 140.44 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.7 ' O ' HG22 ' A' ' 144' ' ' VAL . 5.7 mtt-85 -107.67 121.74 45.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -151.19 156.39 40.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.068 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.674 ' HG3' ' HB2' ' A' ' 102' ' ' ALA . 37.9 mttt -103.69 143.94 32.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -124.29 153.31 41.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.406 ' C ' ' HD2' ' A' ' 83' ' ' LYS . 1.2 tmmt? -146.95 126.7 13.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.926 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.44 ' CD2' HD22 ' A' ' 66' ' ' LEU . 12.6 m-85 -104.22 136.52 43.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.498 ' CB ' ' HB2' ' A' ' 96' ' ' ALA . 32.6 p -149.42 162.81 39.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 26.3 mt -121.69 132.15 71.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.137 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.439 HD21 ' HG3' ' A' ' 93' ' ' GLU . 6.5 mt -98.53 105.89 18.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.675 ' ND2' ' H ' ' A' ' 92' ' ' GLU . 0.4 OUTLIER -59.93 -176.37 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -54.54 -28.53 46.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.103 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.02 13.97 8.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.917 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.79 25.46 52.1 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.484 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.675 ' H ' ' ND2' ' A' ' 88' ' ' ASN . 23.6 mt-10 -102.65 142.58 33.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.807 0.336 . . . . 0.0 110.915 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.439 ' HG3' HD21 ' A' ' 87' ' ' LEU . 6.2 mt-10 -63.82 134.17 54.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.891 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.8 t -156.36 146.7 21.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.148 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 51.8 mmtt 54.51 46.09 25.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.498 ' HB2' ' CB ' ' A' ' 85' ' ' SER . . . -100.28 156.02 17.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.127 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 20.9 mtm -127.03 122.24 33.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -94.88 158.89 15.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 53.7 p -103.52 159.79 15.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.878 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -77.73 -66.23 0.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -133.71 167.34 20.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.674 ' HB2' ' HG3' ' A' ' 81' ' ' LYS . . . -71.51 161.63 30.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.088 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -126.53 169.13 13.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.899 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 23.3 ttm180 -80.29 99.49 7.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.519 ' CE1' HD12 ' A' ' 68' ' ' LEU . 35.3 m-85 -90.46 142.01 28.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.518 HG22 ' HB2' ' A' ' 109' ' ' LYS . 17.0 m -149.74 146.87 16.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.101 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -40.17 100.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.927 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 104.41 20.37 10.35 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.491 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.629 ' O ' HD12 ' A' ' 69' ' ' LEU . 20.9 tptt -102.91 145.37 29.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.806 0.336 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -130.2 123.78 31.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 71.1 m95 -138.51 115.32 10.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -171.73 -154.83 10.27 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.48 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -120.64 145.9 46.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.981 0.42 . . . . 0.0 110.878 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.8 tttt -75.77 -59.53 2.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -88.6 92.89 9.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -84.52 -56.75 3.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.873 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.644 HG12 HD21 ' A' ' 122' ' ' LEU . 7.3 tp -157.91 153.42 6.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.548 ' HG2' ' CD2' ' A' ' 63' ' ' TYR . 28.4 mtt180 -75.69 107.51 7.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.814 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.409 ' NH2' ' SG ' ' A' ' 24' ' ' CYS . 37.4 mtp180 -38.51 -45.24 1.03 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -53.45 -42.06 66.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.593 ' CE1' ' OD1' ' A' ' 127' ' ' ASN . 65.8 t80 -63.68 -32.44 73.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.761 ' HA ' HD12 ' A' ' 129' ' ' LEU . 12.6 mt -73.69 -56.97 4.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.448 ' HA ' HD12 ' A' ' 130' ' ' LEU . 5.6 mp -61.41 -25.37 67.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.94 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.5 ' OD2' ' HB3' ' A' ' 126' ' ' ALA . 13.2 t70 -54.64 159.15 2.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -100.21 -33.99 10.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.5 ' HB3' ' OD2' ' A' ' 124' ' ' ASP . . . -45.33 -38.07 5.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.085 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.593 ' OD1' ' CE1' ' A' ' 121' ' ' PHE . 8.8 m-80 -86.38 -40.0 15.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.973 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 74.18 38.61 46.53 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.455 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.761 HD12 ' HA ' ' A' ' 122' ' ' LEU . 73.4 mt -78.73 -22.08 47.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.818 0.342 . . . . 0.0 110.919 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.707 HD23 ' O ' ' A' ' 129' ' ' LEU . 2.5 mt -133.61 84.65 44.77 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.594 0.711 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -23.58 30.82 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.669 2.246 . . . . 0.0 112.36 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -133.39 28.33 4.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 20' ' ' ASN . 4.3 m-20 64.99 27.07 12.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.835 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.519 ' HB3' HG22 ' A' ' 17' ' ' THR . 6.5 mtpt -112.71 124.04 51.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.443 HD22 ' CE1' ' A' ' 21' ' ' PHE . 67.5 tp -96.81 95.38 7.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.962 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 81.8 m -80.52 95.45 6.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.185 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 17.0 mt -90.7 115.6 27.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' PHE . . . . . 0.414 ' CE1' ' HB2' ' A' ' 13' ' ' SER . 30.2 t80 -98.35 109.65 22.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' CYS . . . . . 0.661 ' SG ' HD21 ' A' ' 49' ' ' LEU . 42.0 t -104.23 150.17 24.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.874 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -134.77 115.04 13.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.579 ' HB ' ' CE2' ' A' ' 12' ' ' PHE . 22.4 t -107.21 139.6 28.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.109 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' SER . . . . . 0.402 ' CB ' ' HG3' ' A' ' 11' ' ' LYS . 3.2 m -126.85 107.19 9.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.452 ' O ' HG23 ' A' ' 9' ' ' VAL . 47.9 t -87.26 110.53 20.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.174 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.7 HG22 ' O ' ' A' ' 79' ' ' ARG . 19.4 m -66.83 115.72 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -113.21 155.19 25.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -57.3 171.29 0.42 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 8.6 t -93.04 106.51 18.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 2.7 m -128.55 123.24 59.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -138.02 106.63 5.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.841 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 37.4 mt -43.48 137.59 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 84.9 p -110.73 114.01 27.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 140.06 104.82 0.6 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.528 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -61.29 99.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.856 0.36 . . . . 0.0 110.938 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 7.9 m -134.78 174.42 10.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -112.05 -150.63 11.39 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.494 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 116.52 4.6 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.697 2.265 . . . . 0.0 112.302 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 25.3 m -85.74 162.36 18.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 3.6 m -135.94 113.27 10.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.487 -179.98 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.0 p -51.44 164.01 0.23 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.891 0.377 . . . . 0.0 110.869 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.7 p -136.96 149.88 47.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.823 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.91 -150.46 18.29 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.493 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.8 t -139.71 148.39 42.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.892 0.377 . . . . 0.0 110.823 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.3 p -47.2 -51.98 17.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.814 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 43.71 -132.72 6.17 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.501 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.426 ' HD3' ' N ' ' A' ' 9' ' ' VAL . 0.8 OUTLIER -68.33 145.23 54.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 110.877 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.526 HG22 ' N ' ' A' ' 10' ' ' VAL . 2.2 p -129.36 159.59 41.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.186 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.526 ' N ' HG22 ' A' ' 9' ' ' VAL . 57.5 t -111.78 99.99 9.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.15 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.5 ' HG2' ' CB ' ' A' ' 142' ' ' SER . 18.5 mtmt -108.5 160.61 15.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.575 ' CZ ' ' HB ' ' A' ' 141' ' ' VAL . 34.0 p90 -159.26 135.23 8.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.831 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.499 ' HB2' ' CE1' ' A' ' 138' ' ' PHE . 93.9 p -107.29 132.17 53.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.828 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -122.35 115.93 23.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.87 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 32.9 ttm -87.14 119.14 27.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.93 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.406 ' HZ3' HG23 ' A' ' 51' ' ' VAL . 8.9 t90 -118.54 99.52 6.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.2 m -90.63 126.94 36.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.151 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 29.5 mt -106.73 100.81 11.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.8 127.54 33.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 74.76 44.21 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.528 ' HZ ' HD12 ' A' ' 64' ' ' LEU . 91.8 t80 -54.55 -38.15 66.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.4 t -67.36 -13.59 62.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -94.76 18.23 12.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 27.4 p -41.3 123.66 2.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 49.2 mmt-85 -114.0 49.17 1.02 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -130.25 89.7 2.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 28' ' ' MET . 2.4 tt0 -42.99 157.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.42 ' C ' ' O ' ' A' ' 27' ' ' GLU . 5.8 ttm -36.79 134.65 0.48 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 96.55 -61.66 1.2 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.507 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -40.39 140.7 0.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.858 0.361 . . . . 0.0 110.922 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.9 p -121.98 142.92 36.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.109 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 48.6 mt -91.31 112.35 25.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.4 mtmp? -95.0 130.68 41.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.861 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 87.2 p -94.13 178.51 5.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.7 m -64.97 -179.15 0.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.829 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.6 p -102.22 121.23 41.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.105 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.426 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 3.3 p90 -120.35 140.47 51.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 89.3 p -138.43 -178.01 5.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.8 p -89.76 77.63 7.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.817 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.9 140.79 9.18 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.51 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -42.14 -59.99 1.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.818 0.342 . . . . 0.0 111.136 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.452 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 1.8 p-10 -80.76 88.5 5.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -150.77 124.64 9.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.1 mmmm -73.42 -44.24 58.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.485 HD21 ' HZ2' ' A' ' 47' ' ' TRP . 53.5 tp -66.56 113.19 4.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 57.9 mmtt -111.41 164.98 12.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.485 ' HZ2' HD21 ' A' ' 45' ' ' LEU . 72.1 m95 -142.63 152.57 42.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 8.4 t -141.42 149.42 41.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 40.6 mt -106.0 136.21 46.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 25.3 mtt180 -113.27 104.65 12.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.901 HG22 HD13 ' A' ' 66' ' ' LEU . 77.9 t -105.33 142.4 18.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -132.33 102.35 14.27 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.676 0.75 . . . . 0.0 110.918 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 -27.18 27.02 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.73 2.286 . . . . 0.0 112.332 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -100.19 -12.32 19.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 80.61 -161.26 44.29 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.511 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 15.3 mt -113.62 -48.12 2.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.821 0.343 . . . . 0.0 110.932 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.44 156.87 43.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -39.64 -34.2 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -55.04 -58.66 6.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.476 ' HB2' ' CE ' ' A' ' 114' ' ' LYS . 9.4 t -94.21 38.9 1.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.423 ' CG ' ' N ' ' A' ' 62' ' ' ASP . 18.1 ptmt -84.72 -45.56 12.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.929 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.423 ' N ' ' CG ' ' A' ' 61' ' ' LYS . 1.6 m-20 -66.48 -38.3 86.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.442 ' CE2' ' CG ' ' A' ' 118' ' ' ARG . 4.9 m-85 -97.37 161.01 13.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.892 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.59 HD23 ' N ' ' A' ' 65' ' ' SER . 9.6 tt -90.99 155.95 18.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.951 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.59 ' N ' HD23 ' A' ' 64' ' ' LEU . 3.4 t -120.61 119.53 33.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.901 HD13 HG22 ' A' ' 51' ' ' VAL . 42.9 tp -127.04 116.76 21.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.862 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -124.47 147.46 48.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.701 HD22 ' HB3' ' A' ' 82' ' ' PHE . 22.4 tp -94.92 106.55 18.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.893 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.1 tp -99.97 137.45 38.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.832 HD21 ' HB3' ' A' ' 73' ' ' CYS . 7.3 tp -86.97 86.29 7.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.946 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.594 HG13 ' H ' ' A' ' 72' ' ' SER . 0.2 OUTLIER -38.25 -65.74 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 179.819 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.594 ' H ' HG13 ' A' ' 71' ' ' VAL . 3.9 m -144.46 146.28 32.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.839 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.832 ' HB3' HD21 ' A' ' 70' ' ' LEU . 31.1 p -138.44 143.16 37.38 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.619 0.724 . . . . 0.0 110.901 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -38.92 7.1 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.685 2.256 . . . . 0.0 112.342 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 76' ' ' SER . 24.5 pttt -105.15 146.45 29.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 75' ' ' LYS . 3.1 m -36.31 -69.41 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -112.88 154.54 26.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.5 p -145.52 144.47 21.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.13 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.786 ' O ' HG22 ' A' ' 144' ' ' VAL . 22.7 mtp180 -107.36 124.48 49.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.45 163.08 38.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.401 ' HG3' ' HB2' ' A' ' 102' ' ' ALA . 24.6 mttp -107.99 178.01 4.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.701 ' HB3' HD22 ' A' ' 68' ' ' LEU . 28.6 p90 -159.24 150.07 19.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -148.0 122.83 9.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -102.57 139.09 38.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.427 ' CB ' ' HB2' ' A' ' 96' ' ' ALA . 50.2 p -152.69 159.62 43.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.42 ' O ' ' N ' ' A' ' 94' ' ' THR . 18.7 mt -117.75 137.81 50.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.104 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.9 mt -100.99 106.09 17.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.944 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.634 ' ND2' ' H ' ' A' ' 92' ' ' GLU . 0.5 OUTLIER -59.68 -175.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.42 -32.0 47.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.24 14.92 3.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.88 25.25 52.32 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.512 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.634 ' H ' ' ND2' ' A' ' 88' ' ' ASN . 12.8 mt-10 -105.29 142.87 34.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.803 0.335 . . . . 0.0 110.893 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -58.45 139.33 55.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.432 HG21 ' CD2' ' A' ' 129' ' ' LEU . 2.3 t -159.12 138.26 11.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.139 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 49.9 mmtt 59.03 47.62 11.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.922 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.427 ' HB2' ' CB ' ' A' ' 85' ' ' SER . . . -96.45 167.06 11.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.105 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.477 ' CE ' ' CG ' ' A' ' 113' ' ' PHE . 8.9 mtm -136.87 130.17 31.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -96.88 161.5 13.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.469 ' OG ' ' CE1' ' A' ' 82' ' ' PHE . 16.0 m -100.83 158.55 15.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -75.91 -46.99 27.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.919 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.8 ptp85 -165.05 178.74 6.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.401 ' HB2' ' HG3' ' A' ' 81' ' ' LYS . . . -77.83 131.01 37.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -102.59 161.37 13.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.95 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 23.4 ttp180 -73.48 97.51 2.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.449 ' CZ ' HD23 ' A' ' 68' ' ' LEU . 19.2 m-85 -84.68 151.17 24.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.612 HG22 ' HB2' ' A' ' 109' ' ' LYS . 15.9 m -154.07 148.81 13.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.108 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -42.57 96.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.932 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 105.32 20.2 9.88 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.484 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.612 ' HB2' HG22 ' A' ' 106' ' ' VAL . 14.5 tptt -96.98 144.4 26.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.788 0.328 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.24 118.28 23.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 73.2 m95 -134.12 125.09 27.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 178.93 -141.07 4.73 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.526 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.477 ' CG ' ' CE ' ' A' ' 97' ' ' MET . 17.9 m-85 -127.75 159.01 36.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.941 0.401 . . . . 0.0 110.887 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.476 ' CE ' ' HB2' ' A' ' 60' ' ' SER . 64.9 tttt -88.77 -50.96 5.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.914 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.411 ' HD2' ' CD1' ' A' ' 63' ' ' TYR . 12.0 mmtp -104.99 95.11 5.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -83.33 -57.31 3.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.547 HG23 HD11 ' A' ' 122' ' ' LEU . 6.3 tp -155.53 151.14 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.499 ' N ' HG13 ' A' ' 117' ' ' ILE . 4.7 mtp180 -68.33 116.17 8.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.504 ' HA ' HD13 ' A' ' 122' ' ' LEU . 25.7 ttp85 -50.16 -38.46 39.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -62.32 -40.24 95.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.478 ' CZ ' ' CG ' ' A' ' 127' ' ' ASN . 58.1 t80 -57.46 -48.12 80.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.908 ' HA ' HD12 ' A' ' 129' ' ' LEU . 6.5 mp -53.77 -67.19 0.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.958 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.441 ' CD1' ' H ' ' A' ' 123' ' ' LEU . 4.6 mp -50.85 -36.43 37.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.95 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -43.17 144.76 0.61 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -84.86 -34.5 22.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -42.15 -43.66 3.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.478 ' CG ' ' CZ ' ' A' ' 121' ' ' PHE . 4.5 m-20 -87.55 -41.53 13.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 69.68 35.19 73.64 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.523 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.908 HD12 ' HA ' ' A' ' 122' ' ' LEU . 43.2 mt -65.17 -17.21 64.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.875 0.369 . . . . 0.0 110.904 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.416 HD23 ' O ' ' A' ' 129' ' ' LEU . 2.4 mt -132.65 80.07 62.81 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.61 0.719 . . . . 0.0 110.917 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -20.48 34.8 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.66 2.24 . . . . 0.0 112.37 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -124.48 27.42 6.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.878 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 59.03 25.17 13.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 11.7 ptpt -127.06 130.83 50.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.525 HD13 HD23 ' A' ' 122' ' ' LEU . 55.2 tp -95.35 128.79 42.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 97.5 m -107.04 98.36 8.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 9.1 mt -89.86 117.74 28.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.968 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' PHE . . . . . 0.499 ' CE1' ' HB2' ' A' ' 13' ' ' SER . 16.2 t80 -103.91 103.81 13.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 24.6 t -105.83 151.95 23.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -135.86 122.22 20.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.575 ' HB ' ' CZ ' ' A' ' 12' ' ' PHE . 25.7 t -109.96 142.67 21.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.125 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' SER . . . . . 0.5 ' CB ' ' HG2' ' A' ' 11' ' ' LYS . 0.9 OUTLIER -126.21 113.47 17.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.888 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 46.8 t -93.84 117.8 38.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.132 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.786 HG22 ' O ' ' A' ' 79' ' ' ARG . 34.9 m -81.19 95.43 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.191 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' GLN . . . . . 0.444 ' O ' ' C ' ' A' ' 146' ' ' ASP . 1.3 pt20 -134.52 106.1 6.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.929 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 146' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 145' ' ' GLN . 43.3 m-20 -34.48 -74.76 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.8 m -167.71 106.74 0.54 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 24.3 m -140.83 154.04 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' ASN . . . . . 0.424 ' O ' ' C ' ' A' ' 150' ' ' ILE . 7.5 p30 -173.31 129.25 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 150' ' ' ILE . . . . . 0.734 HD12 ' H ' ' A' ' 150' ' ' ILE . 5.3 mp -34.1 106.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.095 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 4.1 m -56.77 110.86 0.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 117.6 -142.39 17.19 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.487 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -127.61 98.5 5.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.835 0.35 . . . . 0.0 110.897 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 4.9 t -127.67 109.98 12.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -141.68 -172.43 13.37 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.457 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 87.97 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.678 2.252 . . . . 0.0 112.348 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 76.7 p -136.98 113.5 10.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 158' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 159' ' ' GLY . 35.3 p -69.3 155.2 40.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.894 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 159' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 158' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.498 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.2 m -109.26 155.69 20.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.845 0.355 . . . . 0.0 110.859 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -46.88 131.9 11.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.873 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.9 -163.99 24.75 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.457 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.9 m 58.86 45.21 15.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.862 0.363 . . . . 0.0 110.883 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 t -93.43 83.46 4.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.76 -130.73 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.527 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.05 141.69 58.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.801 0.334 . . . . 0.0 110.873 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.509 ' O ' HG13 ' A' ' 9' ' ' VAL . 7.3 p -141.2 117.21 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.474 HG23 ' HG3' ' A' ' 145' ' ' GLN . 87.1 t -96.35 103.67 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.13 164.71 12.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -151.1 141.03 21.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 83.0 p -109.16 130.25 55.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.721 ' CD2' ' CD2' ' A' ' 37' ' ' PHE . 34.5 t80 -125.59 118.74 26.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.943 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 37.4 ttm -93.26 115.94 28.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 9.6 t90 -115.15 101.98 9.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.4 m -93.6 115.25 27.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 30.7 mt -91.8 99.62 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.172 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -67.56 138.21 56.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.4 m120 64.31 43.88 4.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -54.07 -30.36 47.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.5 t -69.26 -21.74 63.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -85.35 19.78 2.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.7 p -48.99 121.64 4.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 26' ' ' GLU . 2.4 tmm_? -99.75 -45.98 5.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 25' ' ' ARG . 8.4 mp0 -36.55 105.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -62.27 -177.45 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 8.5 ttm -53.36 145.08 15.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.859 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.02 -50.39 4.16 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.496 ' O ' ' ND2' ' A' ' 52' ' ' ASN . 21.5 mt-10 -47.64 153.64 0.55 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.873 0.368 . . . . 0.0 110.889 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.872 HG23 ' OD1' ' A' ' 52' ' ' ASN . 7.7 p -131.74 152.48 37.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.9 mt -104.41 101.57 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.09 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.0 mtmp? -88.46 121.3 30.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 83.9 p -87.74 163.16 16.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.7 m -49.03 176.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 24.7 p -90.45 124.13 34.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.167 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.721 ' CD2' ' CD2' ' A' ' 14' ' ' TYR . 22.9 p90 -119.88 137.66 53.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 72.7 m -139.56 -176.42 4.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.823 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 95.9 p -76.67 -12.88 60.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.888 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -164.8 156.31 28.19 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.52 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -48.63 -54.51 14.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.809 0.338 . . . . 0.0 111.144 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -92.13 81.96 5.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' ' 45' ' ' LEU . 11.5 t0 -131.62 94.09 3.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 43' ' ' ASP . 23.6 mmtt -35.29 -32.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.81 HD22 ' NE1' ' A' ' 47' ' ' TRP . 3.0 tt -92.39 129.98 38.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.484 ' N ' HD23 ' A' ' 45' ' ' LEU . 44.5 mmtm -120.27 160.01 23.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.81 ' NE1' HD22 ' A' ' 45' ' ' LEU . 73.0 m95 -138.49 155.3 48.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.938 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.445 ' SG ' HD23 ' A' ' 69' ' ' LEU . 31.0 p -144.08 161.2 39.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' ' 49' ' ' LEU . 11.1 mt -117.53 137.55 52.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.412 ' HE ' HG21 ' A' ' 31' ' ' VAL . 26.0 mtp180 -114.0 109.24 18.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.727 HG22 HD13 ' A' ' 66' ' ' LEU . 44.4 t -111.8 142.18 24.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.872 ' OD1' HG23 ' A' ' 31' ' ' VAL . 6.0 m120 -134.82 101.71 11.54 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.585 0.707 . . . . 0.0 110.904 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.476 ' HA ' ' CD2' ' A' ' 64' ' ' LEU . 53.8 Cg_endo -69.76 -12.22 32.45 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.637 2.225 . . . . 0.0 112.37 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.6 mtpt -114.91 11.85 16.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 59.01 176.38 0.78 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -81.11 -36.77 29.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.761 0.315 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.481 ' CG ' ' N ' ' A' ' 58' ' ' GLU . 14.5 t70 -147.57 171.6 15.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.843 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.481 ' N ' ' CG ' ' A' ' 57' ' ' ASP . 51.2 mt-10 -52.56 -16.46 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 60.0 tt0 -61.4 -61.03 2.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.866 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 27.5 t -106.77 41.37 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.865 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.9 ptmm? -75.23 -30.77 60.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.866 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -77.52 -34.85 53.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.549 ' CD1' ' HG2' ' A' ' 118' ' ' ARG . 8.1 m-85 -92.4 160.24 15.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.476 ' CD2' ' HA ' ' A' ' 53' ' ' PRO . 3.2 tm? -88.99 124.3 34.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.958 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.4 m -96.19 129.87 43.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.727 HD13 HG22 ' A' ' 51' ' ' VAL . 33.4 tp -138.39 131.24 29.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -134.82 152.44 51.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.694 ' C ' HD13 ' A' ' 68' ' ' LEU . 1.5 tm? -101.19 111.55 23.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.931 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.618 HD12 ' O ' ' A' ' 109' ' ' LYS . 8.7 tp -101.88 154.83 18.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.705 HD21 ' HB3' ' A' ' 73' ' ' CYS . 39.9 tp -104.27 82.45 1.95 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.905 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.608 HG13 ' H ' ' A' ' 72' ' ' SER . 1.4 p -35.1 -57.87 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.608 ' H ' HG13 ' A' ' 71' ' ' VAL . 12.2 t -155.51 152.12 28.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.705 ' HB3' HD21 ' A' ' 70' ' ' LEU . 16.8 p -142.13 144.88 33.44 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.655 0.74 . . . . 0.0 110.866 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.471 ' CD ' ' HG ' ' A' ' 45' ' ' LEU . 53.9 Cg_endo -69.74 -50.91 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.745 2.297 . . . . 0.0 112.324 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.7 pttm -90.9 164.7 13.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 20.4 m -42.7 -60.04 1.71 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -134.95 159.4 41.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.844 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.7 p -139.75 140.34 36.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.159 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.415 ' O ' HG22 ' A' ' 144' ' ' VAL . 15.6 mtp180 -107.89 128.8 54.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.851 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.72 157.69 33.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.123 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 29.9 mttp -102.43 131.34 49.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -113.19 147.67 36.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.3 tmmm? -140.57 127.34 20.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.937 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -105.83 137.67 43.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 44.2 p -150.88 156.69 41.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.619 HD11 HG21 ' A' ' 117' ' ' ILE . 37.8 mt -114.96 127.22 72.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.101 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.423 HD21 ' HG3' ' A' ' 93' ' ' GLU . 6.3 mt -89.87 114.11 25.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.956 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.445 ' C ' ' OD1' ' A' ' 88' ' ' ASN . 33.2 p30 -64.71 -176.3 0.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.0 -36.3 60.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.077 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.442 ' N ' ' OD1' ' A' ' 88' ' ' ASN . 0.1 OUTLIER -86.66 21.39 2.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.913 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 55.21 31.12 56.21 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -102.68 134.98 45.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.805 0.335 . . . . 0.0 110.862 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.423 ' HG3' HD21 ' A' ' 87' ' ' LEU . 13.8 mt-10 -62.13 132.29 52.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.422 HG21 ' CD2' ' A' ' 129' ' ' LEU . 6.1 t -153.62 143.28 21.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.177 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.427 ' HG3' ' CD1' ' A' ' 117' ' ' ILE . 58.3 mmtt 60.22 50.13 6.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.928 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -99.96 161.47 13.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.11 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.428 ' CE ' ' CD2' ' A' ' 113' ' ' PHE . 15.4 mtm -133.6 130.62 38.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -106.25 168.39 9.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.843 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 9.2 t -113.82 160.23 18.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.95 -23.09 27.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.6 ttp-105 -164.47 168.84 17.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.14 165.07 25.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.099 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -125.22 154.37 41.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -70.98 103.48 2.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.561 ' CE1' HD12 ' A' ' 68' ' ' LEU . 17.1 m-85 -94.97 114.82 26.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.59 HG22 ' HB2' ' A' ' 109' ' ' LYS . 16.2 m -121.8 158.44 25.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.162 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -45.9 105.5 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 89.64 28.71 18.28 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.462 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.618 ' O ' HD12 ' A' ' 69' ' ' LEU . 19.8 tptt -102.37 140.93 36.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.825 0.345 . . . . 0.0 110.853 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -123.47 124.33 42.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -138.64 124.93 20.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 178.68 -159.15 24.09 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.484 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.428 ' CD2' ' CE ' ' A' ' 97' ' ' MET . 21.9 m-85 -113.28 150.67 32.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.951 0.405 . . . . 0.0 110.85 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 29.8 tttt -76.78 -56.86 4.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 34.7 mttm -102.63 101.88 12.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -83.87 -51.0 7.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.619 HG21 HD11 ' A' ' 86' ' ' ILE . 3.0 tt -171.13 143.19 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.128 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.549 ' HG2' ' CD1' ' A' ' 63' ' ' TYR . 13.3 mtt180 -48.6 118.16 2.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.74 ' HA ' HD13 ' A' ' 122' ' ' LEU . 26.3 ttp85 -52.46 -39.22 60.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.4 -43.5 98.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.61 ' CD2' HD11 ' A' ' 117' ' ' ILE . 65.4 t80 -53.28 -21.61 5.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.756 ' HA ' HD12 ' A' ' 129' ' ' LEU . 6.4 mp -82.03 -59.62 2.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.707 HD13 HD12 ' A' ' 130' ' ' LEU . 2.6 mm? -59.57 -32.8 70.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.916 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -46.35 153.4 0.35 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.871 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -93.21 -33.17 14.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.832 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -41.73 -42.94 2.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.083 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' A' ' 121' ' ' PHE . 0.7 OUTLIER -88.47 -40.4 13.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 72.32 42.03 50.91 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.468 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.756 HD12 ' HA ' ' A' ' 122' ' ' LEU . 69.8 mt -77.18 -25.12 51.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.842 0.353 . . . . 0.0 110.893 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.707 HD12 HD13 ' A' ' 123' ' ' LEU . 6.4 mt -127.01 79.26 73.22 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.613 0.72 . . . . 0.0 110.912 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -32.41 18.42 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.733 2.289 . . . . 0.0 112.301 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -113.87 27.28 9.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.83 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 57.7 36.6 26.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 8.3 ptpt -133.08 127.19 33.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.631 HD13 HD23 ' A' ' 122' ' ' LEU . 64.5 tp -90.9 114.36 26.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 58.3 m -96.07 95.04 7.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.151 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 7.9 mt -87.75 121.14 29.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -106.6 111.21 23.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' CYS . . . . . 0.411 ' HB2' HD11 ' A' ' 49' ' ' LEU . 18.7 t -110.09 152.49 25.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.884 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -140.75 111.84 7.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 45.6 t -104.74 131.35 54.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -118.22 117.19 28.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 54.3 t -90.62 121.94 41.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 144' ' ' VAL . 32.8 m -72.89 117.85 17.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 145' ' ' GLN . . . . . 0.474 ' HG3' HG23 ' A' ' 10' ' ' VAL . 44.3 mm-40 -105.3 175.48 5.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -86.86 156.6 19.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 2.8 m -72.79 109.73 6.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 32.4 m -102.26 145.87 11.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.124 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -42.83 120.71 1.83 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 43.7 mt -41.74 134.34 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 3.9 m -144.94 130.53 18.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 66.27 106.36 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.489 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.64 145.56 27.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.819 0.343 . . . . 0.0 110.93 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 44.6 m -123.48 143.29 50.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -93.77 -169.85 38.54 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.506 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 130.35 19.22 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.67 2.246 . . . . 0.0 112.352 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 4.1 m -62.96 -56.53 16.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 50.0 m -91.8 141.02 29.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.875 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.528 179.99 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.451 -0.259 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m 62.74 42.63 7.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.856 0.36 . . . . 0.0 110.8 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.5 m -83.64 122.96 29.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.43 77.56 0.15 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.498 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.6 p -118.95 128.73 54.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.881 0.372 . . . . 0.0 110.913 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.0 p -90.52 143.88 26.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.62 -155.23 26.49 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.463 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.401 ' HD2' ' N ' ' A' ' 9' ' ' VAL . 2.3 tmmm? -64.97 145.35 56.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.808 0.337 . . . . 0.0 110.895 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.401 ' N ' ' HD2' ' A' ' 8' ' ' LYS . 7.3 p -140.11 125.58 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.097 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 73.2 t -93.07 108.54 20.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.7 159.33 23.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.498 ' CD1' ' HB3' ' A' ' 39' ' ' SER . 6.0 p90 -151.59 143.63 23.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.537 ' HB2' ' CE1' ' A' ' 138' ' ' PHE . 91.5 p -107.16 131.67 53.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -122.02 105.73 10.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.92 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.1 ttp -87.45 105.42 17.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.865 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.556 ' CZ3' ' HB3' ' A' ' 34' ' ' SER . 8.0 t90 -105.15 112.33 25.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 35.7 m -101.81 132.34 47.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.163 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 32.3 mt -111.2 101.45 12.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -67.6 134.53 51.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 68.39 48.98 0.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -59.69 -33.85 72.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.6 t -65.45 -21.02 66.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -81.26 -30.03 34.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.885 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 21.1 m -38.27 109.6 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.902 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 24.8 mmm-85 -125.95 90.37 3.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -121.51 118.79 30.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -42.54 158.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.8 ttm -49.2 131.16 19.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.89 -55.28 1.17 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.478 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -40.18 143.06 0.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.876 0.369 . . . . 0.0 110.884 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.428 HG22 ' N ' ' A' ' 32' ' ' ILE . 8.8 p -129.03 154.74 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.127 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.428 ' N ' HG22 ' A' ' 31' ' ' VAL . 96.3 mt -100.25 103.28 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.114 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.8 mtmt -84.23 131.74 34.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.556 ' HB3' ' CZ3' ' A' ' 16' ' ' TRP . 77.7 p -94.55 166.91 11.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.842 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.6 m -59.45 170.96 0.89 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.1 p -89.31 120.67 30.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.138 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 12.3 p90 -111.41 154.29 24.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 79.9 p -133.2 -174.86 3.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.498 ' HB3' ' CD1' ' A' ' 12' ' ' PHE . 97.1 p -82.46 48.17 1.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 42.67 46.11 5.79 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.488 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -169.3 169.71 8.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.782 0.325 . . . . 0.0 111.095 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -64.65 81.5 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.881 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -122.46 101.52 7.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.5 mmmt -43.54 -37.63 2.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.541 HD22 ' NE1' ' A' ' 47' ' ' TRP . 1.6 tt -63.43 126.95 29.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.943 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.3 mmtp -115.34 165.26 13.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.541 ' NE1' HD22 ' A' ' 45' ' ' LEU . 78.4 m95 -141.62 155.36 45.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.947 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 17.4 t -146.89 153.2 39.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 73.9 mt -113.18 131.93 55.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.949 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -105.83 105.8 16.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.757 HG22 HD13 ' A' ' 66' ' ' LEU . 82.5 t -107.27 135.87 44.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.137 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.625 ' O ' HD22 ' A' ' 64' ' ' LEU . 65.7 m-80 -127.18 101.5 25.3 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.635 0.731 . . . . 0.0 110.868 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.472 ' HA ' ' CD2' ' A' ' 64' ' ' LEU . 53.8 Cg_endo -69.69 -47.25 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.656 2.237 . . . . 0.0 112.349 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.2 tttp -84.84 35.42 0.57 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 45.21 -167.68 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.441 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 15.7 mt -119.53 -51.35 2.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.798 0.333 . . . . 0.0 110.904 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 59' ' ' GLU . 0.7 OUTLIER -130.97 154.44 48.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.868 179.854 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -37.09 -30.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 57' ' ' ASP . 21.5 tp10 -55.11 -52.66 62.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 57.2 p -119.46 44.21 2.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.6 ptmm? -67.68 -38.86 84.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -99.61 36.06 1.86 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -142.27 149.19 39.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.625 HD22 ' O ' ' A' ' 52' ' ' ASN . 2.0 tm? -88.69 124.93 34.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.2 t -105.79 122.75 46.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.757 HD13 HG22 ' A' ' 51' ' ' VAL . 36.5 tp -130.51 113.73 14.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.926 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.586 ' CD2' ' N ' ' A' ' 112' ' ' GLY . 25.8 m-85 -118.61 150.67 39.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.552 ' C ' HD13 ' A' ' 68' ' ' LEU . 0.9 OUTLIER -91.58 102.81 15.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.6 tp -96.21 137.99 34.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.62 HD21 ' HB3' ' A' ' 73' ' ' CYS . 24.9 tp -93.4 83.39 4.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.504 HG13 ' H ' ' A' ' 72' ' ' SER . 0.2 OUTLIER -36.06 -61.51 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 179.818 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.504 ' H ' HG13 ' A' ' 71' ' ' VAL . 3.4 m -148.83 159.15 44.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.62 ' HB3' HD21 ' A' ' 70' ' ' LEU . 31.8 p -150.09 143.54 16.7 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.605 0.717 . . . . 0.0 110.869 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -48.95 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.64 2.227 . . . . 0.0 112.357 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.5 pttm -92.36 154.98 18.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 69.2 m -39.87 -59.06 1.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -128.75 154.15 46.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.6 p -141.59 142.77 28.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.093 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.424 ' O ' HG22 ' A' ' 144' ' ' VAL . 27.7 mtp180 -110.53 135.2 51.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -160.16 159.86 32.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.669 ' HG3' ' HB2' ' A' ' 102' ' ' ALA . 47.7 mttt -104.56 121.48 43.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -109.41 144.66 37.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.838 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.9 tmmm? -140.33 137.34 34.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -112.25 147.61 35.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 28.5 p -159.69 161.76 34.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.486 ' O ' HG22 ' A' ' 94' ' ' THR . 36.5 mt -125.32 128.22 72.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.115 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.9 mt -90.51 110.72 21.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.588 ' ND2' ' H ' ' A' ' 92' ' ' GLU . 0.8 OUTLIER -66.35 -173.99 0.24 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -52.29 -37.32 55.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -82.5 14.68 2.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.65 26.06 52.33 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.478 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.588 ' H ' ' ND2' ' A' ' 88' ' ' ASN . 23.1 mm-40 -102.3 134.06 46.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.829 0.347 . . . . 0.0 110.899 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -54.19 130.42 38.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.486 HG22 ' O ' ' A' ' 86' ' ' ILE . 5.4 t -148.02 156.31 42.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 45.69 45.67 11.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.887 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -91.89 165.22 13.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.093 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.482 ' CE ' ' CG ' ' A' ' 113' ' ' PHE . 16.4 mtm -140.86 125.06 17.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -107.7 152.15 24.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 37.8 p -96.73 160.07 14.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 14.9 tm0? -67.37 -43.98 80.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 31.1 mtm180 -158.69 176.64 12.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.669 ' HB2' ' HG3' ' A' ' 81' ' ' LYS . . . -69.78 149.78 47.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -113.06 173.6 6.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -85.28 98.44 10.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.463 ' HB3' HD22 ' A' ' 70' ' ' LEU . 14.1 m-85 -89.1 131.31 35.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.567 HG22 ' HB2' ' A' ' 109' ' ' LYS . 19.2 m -139.52 157.19 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.105 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -45.38 104.42 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.93 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 91.47 28.37 14.79 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.482 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.567 ' HB2' HG22 ' A' ' 106' ' ' VAL . 15.9 tptt -103.2 128.86 50.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.807 0.337 . . . . 0.0 110.944 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -113.85 124.64 52.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.465 ' CD1' ' HG3' ' A' ' 109' ' ' LYS . 89.9 m95 -137.07 118.12 14.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.969 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.586 ' N ' ' CD2' ' A' ' 67' ' ' TYR . . . -176.81 -152.87 10.16 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.49 ' O ' ' CE1' ' A' ' 67' ' ' TYR . 8.2 m-85 -123.77 151.39 43.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.95 0.405 . . . . 0.0 110.877 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 31.8 tttt -75.76 -56.89 4.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 62.7 mttt -100.3 92.83 5.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -82.25 -46.07 14.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.485 HG13 ' N ' ' A' ' 118' ' ' ARG . 7.2 tp -159.64 152.85 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.181 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.485 ' N ' HG13 ' A' ' 117' ' ' ILE . 11.2 mtt85 -74.16 108.64 7.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.472 ' HA ' HD13 ' A' ' 122' ' ' LEU . 31.7 ttt180 -40.68 -43.44 1.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -60.26 -41.31 92.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.593 ' CZ ' ' OD1' ' A' ' 127' ' ' ASN . 33.2 t80 -54.98 -44.97 74.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.573 ' H ' HD12 ' A' ' 122' ' ' LEU . 6.2 mp -58.48 -62.0 2.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.931 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 7.3 mt -55.65 -36.14 66.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -42.19 145.31 0.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -82.01 -32.05 30.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -47.72 -42.74 25.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.095 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.593 ' OD1' ' CZ ' ' A' ' 121' ' ' PHE . 15.3 m-80 -91.63 -43.21 9.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 65.71 31.63 80.5 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.475 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.552 HD13 ' HB3' ' A' ' 127' ' ' ASN . 1.6 mp -57.13 -26.61 60.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.846 0.355 . . . . 0.0 110.887 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 6.6 mt -123.22 81.77 52.02 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.632 0.73 . . . . 0.0 110.948 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -31.42 20.48 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.625 2.217 . . . . 0.0 112.384 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -114.11 27.38 9.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 57.96 31.18 20.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 4.2 ptpt -130.61 131.45 44.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 59.5 tp -95.05 121.06 36.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 88.0 m -100.67 98.9 9.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 10.3 mt -89.54 116.0 27.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.948 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' PHE . . . . . 0.537 ' CE1' ' HB2' ' A' ' 13' ' ' SER . 4.5 t80 -103.17 102.4 12.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 32.0 t -105.08 145.14 30.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -128.61 115.21 17.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 65.0 t -105.64 134.58 46.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.164 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 16.1 m -124.71 110.63 14.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 59.6 t -86.9 125.11 40.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.167 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 144' ' ' VAL . 35.3 m -74.23 124.16 31.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.101 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -125.41 171.55 10.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -80.04 142.91 34.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 82.7 p -65.48 106.8 1.5 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 32.9 m -120.3 157.09 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.143 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -81.98 118.97 23.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 50.2 mm -69.17 98.41 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.096 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 39.7 m -85.67 100.81 12.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . -157.13 -177.12 29.94 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.486 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' GLN . . . . . 0.534 ' N ' ' CD ' ' A' ' 153' ' ' GLN . 0.0 OUTLIER -133.5 103.07 5.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.788 0.328 . . . . 0.0 110.918 -179.88 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 15.3 m -148.83 148.16 29.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.796 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -108.71 142.42 16.07 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.48 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 119.57 6.49 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.632 2.221 . . . . 0.0 112.348 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 25.6 t -51.25 112.0 0.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 3.8 m -86.94 128.34 35.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.835 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 -179.951 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.5 p -106.27 158.29 16.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.866 0.365 . . . . 0.0 110.885 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.9 t -119.71 156.14 31.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.817 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.439 ' HA3' ' CB ' ' A' ' 146' ' ' ASP . . . 144.01 145.06 4.31 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.483 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 t -65.91 162.81 18.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.859 0.361 . . . . 0.0 110.824 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 t -80.34 143.31 33.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.869 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.35 -114.91 0.32 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.499 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.425 ' HD3' ' N ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -67.59 148.87 50.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.817 0.341 . . . . 0.0 110.887 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.425 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 8.9 p -131.74 130.3 61.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 89.7 t -100.17 112.35 32.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.89 164.39 17.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.556 ' CD1' ' HB2' ' A' ' 39' ' ' SER . 1.7 p90 -150.55 145.26 25.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.894 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.565 ' HB2' ' CE1' ' A' ' 138' ' ' PHE . 89.4 p -108.59 126.87 53.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.701 ' CD2' ' CD1' ' A' ' 37' ' ' PHE . 22.6 t80 -119.95 111.49 17.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 35.3 ttm -87.17 115.85 24.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.862 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.471 ' HZ3' HG23 ' A' ' 51' ' ' VAL . 12.8 t90 -116.99 107.7 14.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.918 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.2 m -98.53 124.15 43.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.112 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 33.7 mt -101.53 98.45 6.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.48 132.01 46.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 69.15 43.68 1.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.842 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -55.45 -35.34 65.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 72.4 m -62.4 -23.9 67.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -81.17 -29.25 34.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.407 ' C ' ' HD3' ' A' ' 25' ' ' ARG . 73.4 m -56.18 96.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.407 ' HD3' ' C ' ' A' ' 24' ' ' CYS . 0.5 OUTLIER -127.49 87.9 2.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.877 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -94.31 167.35 11.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -70.04 155.69 40.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.2 tpt -54.38 107.02 0.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 121.81 -50.79 0.82 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.502 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -41.18 160.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.921 0.391 . . . . 0.0 110.869 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.616 HG21 ' HE ' ' A' ' 50' ' ' ARG . 10.0 p -144.65 145.48 21.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.082 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 19.9 mt -93.61 120.48 43.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.22 130.63 47.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.8 p -93.68 170.82 9.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.48 -174.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 55.0 p -107.81 125.3 51.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.186 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.701 ' CD1' ' CD2' ' A' ' 14' ' ' TYR . 5.4 p90 -117.77 144.65 45.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 95.3 p -136.84 -177.81 4.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.556 ' HB2' ' CD1' ' A' ' 12' ' ' PHE . 4.7 t -103.09 -64.64 1.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.836 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -77.41 -178.49 47.93 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.465 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -94.9 -49.51 5.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.788 0.328 . . . . 0.0 111.087 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -91.62 39.65 1.01 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -98.78 150.02 22.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -107.73 -20.02 13.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.517 HD21 ' HZ2' ' A' ' 47' ' ' TRP . 19.6 tp -73.73 115.68 13.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 36.4 mmtm -114.18 161.28 18.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.517 ' HZ2' HD21 ' A' ' 45' ' ' LEU . 63.6 m95 -138.24 154.09 49.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.925 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 12.3 t -141.56 149.2 40.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 43.2 mt -105.28 136.41 44.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.616 ' HE ' HG21 ' A' ' 31' ' ' VAL . 17.8 mtp180 -111.66 109.39 19.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.476 HG22 HD13 ' A' ' 66' ' ' LEU . 61.5 t -105.75 143.44 16.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.426 ' HA ' ' HD2' ' A' ' 53' ' ' PRO . 1.0 OUTLIER -134.68 102.83 11.25 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.606 0.717 . . . . 0.0 110.863 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.582 ' HA ' HD12 ' A' ' 64' ' ' LEU . 53.3 Cg_endo -69.75 -46.34 1.27 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.693 2.262 . . . . 0.0 112.317 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.4 tttm -83.56 -13.75 53.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.99 148.55 4.32 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.464 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 31.8 mt -51.5 -46.39 63.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.781 0.324 . . . . 0.0 110.877 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -146.09 163.31 35.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -46.75 -21.77 0.23 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -51.59 -52.55 46.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -117.48 50.74 1.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.1 ptmm? -82.86 -36.05 25.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.952 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -62.01 -50.48 71.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.453 ' CD1' ' CG ' ' A' ' 115' ' ' LYS . 0.3 OUTLIER -95.73 166.58 11.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.947 -179.875 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.582 HD12 ' HA ' ' A' ' 53' ' ' PRO . 4.0 tp -89.03 142.54 27.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 28.6 t -109.21 102.95 11.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.805 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.565 HD21 ' CD1' ' A' ' 84' ' ' PHE . 34.3 tp -108.06 139.11 43.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.921 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.474 ' CD2' ' N ' ' A' ' 112' ' ' GLY . 37.7 m-85 -144.53 153.05 41.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.697 HD22 ' HB3' ' A' ' 82' ' ' PHE . 41.1 tp -97.83 105.26 17.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.93 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.8 tp -93.79 135.77 34.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.825 HD21 ' HB3' ' A' ' 73' ' ' CYS . 53.5 tp -89.47 87.0 6.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.945 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.575 HG13 ' H ' ' A' ' 72' ' ' SER . 0.2 OUTLIER -40.84 -63.78 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.853 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.575 ' H ' HG13 ' A' ' 71' ' ' VAL . 3.3 m -146.65 142.87 28.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.825 ' HB3' HD21 ' A' ' 70' ' ' LEU . 28.2 p -134.38 140.18 35.03 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.598 0.713 . . . . 0.0 110.93 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -36.27 11.07 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.682 2.255 . . . . 0.0 112.352 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.8 pttm -105.78 152.32 23.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.2 m -39.68 -57.25 1.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.826 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -128.97 155.83 44.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.4 p -145.35 136.96 20.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.104 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.864 ' O ' HG22 ' A' ' 144' ' ' VAL . 22.6 mtt-85 -106.01 133.11 51.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.422 ' HB1' ' O ' ' A' ' 142' ' ' SER . . . -159.35 155.98 27.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.145 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.417 ' HG3' ' HB2' ' A' ' 102' ' ' ALA . 55.1 mttt -101.83 125.01 48.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.697 ' HB3' HD22 ' A' ' 68' ' ' LEU . 44.0 p90 -110.46 153.6 24.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.1 tmmm? -146.8 126.83 13.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.565 ' CD1' HD21 ' A' ' 66' ' ' LEU . 31.5 m-85 -103.76 153.37 20.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.407 ' CB ' ' HB2' ' A' ' 96' ' ' ALA . 62.7 p -165.71 160.01 16.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 18.3 mt -119.67 127.57 75.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.1 mt -90.99 109.8 21.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.947 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' A' ' 90' ' ' LYS . 26.1 p30 -57.66 -176.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.15 -32.43 64.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.071 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.453 ' N ' ' OD1' ' A' ' 88' ' ' ASN . 3.5 mptt -88.01 20.24 3.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.942 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 55.48 33.15 58.53 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.459 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -108.6 135.84 49.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.809 0.338 . . . . 0.0 110.846 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -57.29 137.66 55.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.7 t -161.6 143.47 11.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.125 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 42.2 mmtt 56.65 45.15 22.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.407 ' HB2' ' CB ' ' A' ' 85' ' ' SER . . . -94.6 167.16 11.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.103 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.428 ' HE3' ' CG ' ' A' ' 113' ' ' PHE . 13.7 mtm -141.21 118.85 11.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -92.75 161.68 14.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.837 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 85.7 p -104.15 158.36 16.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -81.27 -72.4 0.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.93 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 5.9 mpt_? -122.45 156.33 34.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.417 ' HB2' ' HG3' ' A' ' 81' ' ' LYS . . . -64.95 144.72 57.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.071 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -107.97 165.41 11.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 18.7 ttm180 -85.42 103.46 14.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.855 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.576 ' CE1' ' HB2' ' A' ' 111' ' ' TRP . 44.8 m-85 -91.52 151.63 20.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.686 ' C ' HD23 ' A' ' 70' ' ' LEU . 29.4 m -151.89 165.07 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.122 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -52.17 106.01 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 91.49 22.56 31.25 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.543 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.508 ' HB2' HG22 ' A' ' 106' ' ' VAL . 11.4 tptt -95.57 150.62 20.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.824 0.345 . . . . 0.0 110.89 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -135.05 121.24 20.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.576 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 81.9 m95 -137.07 128.8 28.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.474 ' N ' ' CD2' ' A' ' 67' ' ' TYR . . . 177.81 -142.07 5.46 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.521 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.428 ' CG ' ' HE3' ' A' ' 97' ' ' MET . 21.1 m-85 -127.23 151.24 48.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.915 0.388 . . . . 0.0 110.87 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 34.0 tttt -81.75 -56.43 4.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.453 ' CG ' ' CD1' ' A' ' 63' ' ' TYR . 0.3 OUTLIER -96.34 94.88 7.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.882 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -83.38 -50.79 7.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.857 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.592 HG21 HD21 ' A' ' 122' ' ' LEU . 4.1 tt -170.82 148.59 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 19.9 mtm180 -60.69 114.21 2.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.759 ' HA ' HD12 ' A' ' 122' ' ' LEU . 20.6 ttt180 -52.98 -39.17 62.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.01 -26.5 66.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.453 ' CZ ' ' HB3' ' A' ' 127' ' ' ASN . 71.5 t80 -77.76 -39.35 44.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.759 HD12 ' HA ' ' A' ' 119' ' ' ARG . 9.1 mt -58.46 -48.57 80.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.95 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.425 ' N ' HD12 ' A' ' 123' ' ' LEU . 6.2 mp -70.1 -41.83 73.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 123' ' ' LEU . 1.4 t70 -37.91 152.51 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -92.21 -31.76 15.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -40.5 -48.1 2.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.086 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.453 ' HB3' ' CZ ' ' A' ' 121' ' ' PHE . 2.1 p30 -84.95 -38.56 19.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 71.38 34.26 63.92 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.453 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.651 ' O ' HD23 ' A' ' 130' ' ' LEU . 69.9 mt -68.17 -18.19 64.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.857 0.36 . . . . 0.0 110.908 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.651 HD23 ' O ' ' A' ' 129' ' ' LEU . 12.5 mt -134.61 80.68 50.0 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.61 0.719 . . . . 0.0 110.949 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -17.69 37.56 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.664 2.243 . . . . 0.0 112.331 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -130.47 28.37 4.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 56.39 31.31 18.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 8.4 ptpt -127.31 122.69 34.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.831 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 47.1 tp -90.57 117.1 28.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.914 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 85.0 m -95.89 96.88 9.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 11.7 mt -87.71 111.06 20.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' PHE . . . . . 0.565 ' CE1' ' HB2' ' A' ' 13' ' ' SER . 6.7 t80 -98.56 106.33 18.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 38.1 t -110.67 154.15 24.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -139.77 117.24 11.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 46.4 t -103.19 131.78 50.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.132 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' SER . . . . . 0.422 ' O ' ' HB1' ' A' ' 80' ' ' ALA . 21.1 m -117.65 110.55 18.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.82 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 89.3 t -83.82 121.76 36.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.158 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.864 HG22 ' O ' ' A' ' 79' ' ' ARG . 27.9 m -82.58 104.59 11.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.115 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -125.64 145.67 50.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' ASP . . . . . 0.439 ' CB ' ' HA3' ' A' ' 4' ' ' GLY . 11.4 t0 -83.91 53.87 2.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.4 t 51.98 51.33 16.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.842 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 27.7 m -118.71 129.3 75.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.118 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -99.02 147.06 25.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 65.8 mt -84.6 138.6 18.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.092 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 6.1 t -100.3 151.33 21.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.835 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . -107.75 62.34 0.3 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.469 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -77.48 -15.44 59.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.775 0.321 . . . . 0.0 110.901 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 62.7 m -108.99 -56.01 2.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 140.73 170.06 11.96 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.52 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -23.09 31.04 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.645 2.23 . . . . 0.0 112.368 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 38.6 m -107.27 174.19 6.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 8.2 t -125.48 117.44 23.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.842 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.508 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.437 -0.265 . . . . 0.0 112.437 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.6 p -75.62 138.62 41.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.892 0.377 . . . . 0.0 110.837 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.4 t -59.94 121.63 12.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.825 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.8 43.29 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.486 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 6' ' ' SER . 3.6 m -161.4 106.84 1.34 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.883 0.373 . . . . 0.0 110.865 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 5' ' ' SER . 22.0 m -35.17 141.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.82 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.0 39.72 2.82 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.464 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.463 ' HD3' ' N ' ' A' ' 9' ' ' VAL . 3.1 tmtm? -64.37 149.46 48.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.792 0.329 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.463 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 5.9 p -134.56 128.58 51.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.165 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 76.8 t -91.32 101.01 12.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.95 165.66 12.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -153.45 142.96 21.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.843 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.579 ' HB2' ' CE1' ' A' ' 138' ' ' PHE . 61.6 p -107.38 130.92 54.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.549 ' CD2' ' CD2' ' A' ' 37' ' ' PHE . 27.8 t80 -125.94 111.66 15.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 31.6 ttm -88.88 118.02 28.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 8.6 t90 -118.52 99.47 6.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.407 HG21 ' HD3' ' A' ' 134' ' ' LYS . 52.2 m -89.73 112.91 24.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 47.6 mt -87.8 98.92 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.118 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.92 131.52 45.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 73.87 45.96 0.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -54.2 -40.02 67.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.6 p -66.56 -15.82 63.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -99.11 22.44 10.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.404 ' SG ' ' HB2' ' A' ' 53' ' ' PRO . 28.0 p -65.67 131.72 47.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -112.31 88.54 2.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.405 ' CD ' ' HB3' ' A' ' 30' ' ' GLU . 6.5 mm-40 -148.37 130.19 15.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -84.65 177.19 8.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.933 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.5 tpt -53.07 109.3 0.41 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 110.58 -44.07 1.58 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.51 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.405 ' HB3' ' CD ' ' A' ' 26' ' ' GLU . 31.3 mm-40 -40.22 157.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.924 0.392 . . . . 0.0 110.886 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.491 HG21 ' HB3' ' A' ' 50' ' ' ARG . 12.7 p -149.31 142.23 17.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.068 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 18.4 mt -95.05 103.17 14.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.137 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.42 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 25.3 mtmm -88.1 113.9 24.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 85.3 p -73.46 166.03 23.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.81 -174.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.892 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 44.9 p -95.18 137.31 34.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.155 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.549 ' CD2' ' CD2' ' A' ' 14' ' ' TYR . 19.6 p90 -132.86 145.33 50.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 93.1 p -132.14 174.59 10.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.1 t -60.23 -48.09 83.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.863 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 175.74 -86.75 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.491 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -42.64 164.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.835 0.35 . . . . 0.0 111.066 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.455 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 0.4 OUTLIER -67.16 85.56 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -103.21 135.69 44.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.5 mmmm -64.78 -27.39 68.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.52 HD13 ' HD2' ' A' ' 74' ' ' PRO . 46.1 tp -72.85 127.54 32.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.933 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.0 mmtp -126.09 159.5 32.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.519 ' CZ3' HD13 ' A' ' 70' ' ' LEU . 74.6 m95 -142.05 151.81 42.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.943 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 32.1 p -138.22 167.28 22.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.41 HD22 HD11 ' A' ' 66' ' ' LEU . 19.3 mt -121.16 135.68 55.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.491 ' HB3' HG21 ' A' ' 31' ' ' VAL . 24.2 mtp180 -114.11 108.7 17.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.1 t -108.49 138.34 35.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.66 ' O ' HD22 ' A' ' 64' ' ' LEU . 0.8 OUTLIER -125.67 101.75 29.83 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.652 0.739 . . . . 0.0 110.846 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.486 ' HA ' HD23 ' A' ' 64' ' ' LEU . 54.5 Cg_endo -69.71 -5.41 16.1 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.712 2.275 . . . . 0.0 112.384 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.4 mttp -129.5 8.13 5.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 65.15 -174.17 17.15 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.477 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.441 HD22 ' N ' ' A' ' 56' ' ' LEU . 3.7 mm? -88.0 -35.75 17.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.803 0.335 . . . . 0.0 110.902 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.492 ' CG ' ' N ' ' A' ' 58' ' ' GLU . 14.6 t70 -144.32 171.57 14.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.492 ' N ' ' CG ' ' A' ' 57' ' ' ASP . 70.3 mt-10 -50.8 -17.57 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -63.61 -62.96 1.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.93 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 34.3 t -101.11 39.9 1.35 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.855 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.5 ptmm? -78.54 -33.79 47.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.521 ' OD1' ' CD2' ' A' ' 63' ' ' TYR . 0.5 OUTLIER -76.18 -35.65 59.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 179.847 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.521 ' CD2' ' OD1' ' A' ' 62' ' ' ASP . 8.1 m-85 -90.71 162.57 14.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.66 HD22 ' O ' ' A' ' 52' ' ' ASN . 3.2 tm? -95.24 128.13 41.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.978 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.582 ' N ' HD13 ' A' ' 64' ' ' LEU . 16.0 t -104.05 123.17 46.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.754 HD21 ' CD1' ' A' ' 84' ' ' PHE . 3.1 tp -129.9 113.59 14.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.956 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -112.4 165.67 11.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.919 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.528 HD22 ' HB3' ' A' ' 82' ' ' PHE . 28.0 tp -115.02 100.29 8.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.899 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.846 HD12 ' O ' ' A' ' 109' ' ' LYS . 6.1 tp -92.39 147.38 22.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.813 HD21 ' HB3' ' A' ' 73' ' ' CYS . 43.5 tp -95.29 83.0 3.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.654 HG13 ' H ' ' A' ' 72' ' ' SER . 0.6 OUTLIER -35.61 -64.57 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.153 179.861 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.654 ' H ' HG13 ' A' ' 71' ' ' VAL . 19.4 m -145.57 148.94 33.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.813 ' HB3' HD21 ' A' ' 70' ' ' LEU . 28.5 p -140.35 143.18 32.27 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.626 0.727 . . . . 0.0 110.854 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.52 ' HD2' HD13 ' A' ' 45' ' ' LEU . 54.0 Cg_endo -69.74 -50.72 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.644 2.229 . . . . 0.0 112.382 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 76' ' ' SER . 13.9 pttm -93.5 157.19 16.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 75' ' ' LYS . 47.9 m -37.3 -73.5 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -119.55 152.5 36.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.402 HG12 ' O ' ' A' ' 105' ' ' PHE . 2.7 p -140.92 135.81 33.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.114 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.43 ' O ' HG22 ' A' ' 144' ' ' VAL . 22.3 mtt180 -99.01 135.94 39.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -161.35 161.36 30.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.075 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.458 ' HG3' ' HB2' ' A' ' 102' ' ' ALA . 28.3 mttp -101.87 171.89 7.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.528 ' HB3' HD22 ' A' ' 68' ' ' LEU . 26.0 p90 -152.01 141.8 21.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -142.21 115.9 9.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.754 ' CD1' HD21 ' A' ' 66' ' ' LEU . 36.7 m-85 -98.03 146.64 25.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 31.6 p -158.46 156.43 30.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.407 ' O ' ' N ' ' A' ' 94' ' ' THR . 24.3 mt -116.39 135.55 56.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.16 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.483 HD13 ' O ' ' A' ' 91' ' ' GLY . 4.4 mt -100.46 106.69 18.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.659 ' ND2' ' H ' ' A' ' 92' ' ' GLU . 0.6 OUTLIER -57.56 -174.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 179.921 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.81 -33.14 64.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.487 ' HE2' ' N ' ' A' ' 90' ' ' LYS . 0.6 OUTLIER -80.17 2.42 24.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.483 ' O ' HD13 ' A' ' 87' ' ' LEU . . . 70.72 17.67 75.21 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.473 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.659 ' H ' ' ND2' ' A' ' 88' ' ' ASN . 18.3 mm-40 -97.26 144.49 27.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.802 0.334 . . . . 0.0 110.921 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -60.31 136.61 58.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.451 HG21 ' CD2' ' A' ' 129' ' ' LEU . 5.1 t -155.57 140.84 17.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 25.4 mmtt 55.1 50.35 15.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -98.03 165.85 11.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.064 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.544 ' CE ' ' CG ' ' A' ' 113' ' ' PHE . 11.3 mtm -139.95 129.16 23.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -97.55 157.63 15.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 44.6 t -94.26 151.95 19.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.821 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -72.19 -63.88 1.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.936 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.475 ' O ' ' CE1' ' A' ' 103' ' ' TYR . 6.6 tpt180 -147.48 140.48 25.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.458 ' HB2' ' HG3' ' A' ' 81' ' ' LYS . . . -40.96 152.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.475 ' CE1' ' O ' ' A' ' 101' ' ' ARG . 52.1 m-85 -124.88 172.5 9.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.919 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 26.3 ttp180 -80.19 112.89 17.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.537 ' CZ ' ' HB2' ' A' ' 111' ' ' TRP . 23.9 m-85 -108.65 110.3 21.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.404 ' C ' HD23 ' A' ' 70' ' ' LEU . 1.7 m -120.4 160.3 21.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.19 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -47.69 99.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 104.25 26.96 6.37 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.449 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.846 ' O ' HD12 ' A' ' 69' ' ' LEU . 21.6 tptt -110.52 160.24 16.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.788 0.328 . . . . 0.0 110.879 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' A' ' 68' ' ' LEU . 8.4 t0 -148.63 134.47 18.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.537 ' HB2' ' CZ ' ' A' ' 105' ' ' PHE . 94.6 m95 -145.61 129.21 17.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -177.6 -133.38 1.84 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.473 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.544 ' CG ' ' CE ' ' A' ' 97' ' ' MET . 76.0 m-85 -133.31 149.65 51.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.877 0.37 . . . . 0.0 110.891 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 38.2 tttt -79.09 -52.43 8.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.466 ' HG2' ' CD2' ' A' ' 63' ' ' TYR . 56.9 mttt -112.03 101.39 9.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.401 ' HB3' ' O ' ' A' ' 64' ' ' LEU . 14.9 t80 -81.17 -51.68 8.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.836 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.523 ' CG2' HD21 ' A' ' 122' ' ' LEU . 3.6 tt -169.87 148.9 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.116 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 36.8 mtt-85 -57.71 112.06 1.34 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 7.4 ttt-85 -48.32 -39.3 21.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -58.3 -31.3 67.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.723 ' CE1' HD11 ' A' ' 129' ' ' LEU . 61.3 t80 -70.38 -32.58 70.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.774 ' HA ' HD12 ' A' ' 129' ' ' LEU . 11.7 mt -67.58 -58.27 4.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.718 ' HA ' HD12 ' A' ' 130' ' ' LEU . 6.2 mp -60.31 -44.48 95.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 123' ' ' LEU . 4.4 m-20 -35.9 151.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -91.32 -34.94 14.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -38.82 -45.01 1.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.552 ' CG ' ' CZ ' ' A' ' 121' ' ' PHE . 13.5 m-80 -86.27 -42.42 13.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 75.45 33.56 52.52 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.501 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.774 HD12 ' HA ' ' A' ' 122' ' ' LEU . 50.1 mt -69.51 -21.91 63.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.797 0.332 . . . . 0.0 110.877 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.718 HD12 ' HA ' ' A' ' 123' ' ' LEU . 4.8 mt -130.61 79.91 71.11 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.623 0.725 . . . . 0.0 110.912 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -25.74 28.48 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.697 2.265 . . . . 0.0 112.37 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -120.6 26.7 8.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 60.37 31.31 20.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.407 ' HD3' HG21 ' A' ' 17' ' ' THR . 6.5 ptpt -128.51 129.87 46.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 28.3 tp -96.06 105.35 17.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 84.4 m -82.16 99.31 9.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 11.2 mt -92.37 116.38 28.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' PHE . . . . . 0.579 ' CE1' ' HB2' ' A' ' 13' ' ' SER . 4.7 t80 -105.84 103.01 12.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 37.3 t -105.36 154.7 19.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -140.38 119.29 12.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 48.8 t -109.43 139.02 34.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 4.2 p -122.17 115.76 22.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 72.2 t -92.77 118.98 39.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.167 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 144' ' ' VAL . 29.3 m -65.59 117.69 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -129.96 92.44 3.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -87.36 -67.4 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 13.2 t -125.61 45.72 2.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.814 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 11.4 m -144.11 139.62 24.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -145.33 153.58 41.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 50.1 mm -64.25 -45.3 96.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 2.6 m -104.39 140.81 37.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . -146.91 -162.92 10.18 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.447 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 50.02 42.12 24.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.803 0.335 . . . . 0.0 110.903 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 53.9 p -50.76 -46.32 59.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 143.64 -180.0 20.64 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.518 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -42.52 3.39 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.699 2.266 . . . . 0.0 112.337 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 57.9 m -50.49 113.27 0.85 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 71.2 p -118.08 98.48 6.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.882 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.524 -179.97 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.6 m -116.12 143.47 45.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.869 0.366 . . . . 0.0 110.851 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -51.25 -61.16 2.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.821 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.17 135.06 3.56 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.434 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.5 p -69.25 149.77 48.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.884 0.374 . . . . 0.0 110.859 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.7 m -131.75 131.79 43.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.22 -115.82 1.32 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.5 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.5 ttpp -74.83 152.57 38.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.861 0.362 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 143' ' ' VAL . 7.5 p -136.44 125.6 37.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.1 t -86.89 106.37 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.48 154.08 31.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -149.54 144.27 26.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.541 ' HB2' ' CE1' ' A' ' 138' ' ' PHE . 69.3 p -110.34 149.16 30.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.791 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -142.52 113.41 7.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.941 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.524 ' HG2' HG23 ' A' ' 136' ' ' THR . 33.2 ttm -86.61 119.4 26.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.761 ' CZ2' HD11 ' A' ' 18' ' ' ILE . 9.5 t90 -113.42 98.82 7.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 49.1 m -93.73 104.58 16.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.761 HD11 ' CZ2' ' A' ' 16' ' ' TRP . 36.2 mt -87.27 98.15 7.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.179 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.19 127.48 32.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 133' ' ' ASP . 21.5 t30 64.42 54.89 1.45 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -57.74 -12.1 2.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.1 t -79.82 -5.51 55.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.639 ' CD1' ' C ' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -71.01 -29.08 64.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.897 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.449 ' C ' ' O ' ' A' ' 23' ' ' PHE . 5.3 p -34.25 108.63 0.06 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -115.45 26.15 10.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -62.43 169.33 2.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -114.84 -57.67 2.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.7 tpt -170.75 131.54 0.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.86 -37.44 2.67 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.429 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.431 ' O ' ' ND2' ' A' ' 52' ' ' ASN . 8.9 mm-40 -46.31 144.39 2.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.848 0.356 . . . . 0.0 110.9 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.915 HG23 ' OD1' ' A' ' 52' ' ' ASN . 9.3 p -135.86 150.88 28.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 31.4 mt -102.31 105.94 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.119 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.8 mttm -90.54 122.88 33.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 59.0 p -86.48 169.46 12.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.836 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 59.1 m -57.48 161.9 3.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 77.7 p -81.24 121.65 26.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.113 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 18.7 p90 -118.5 145.0 45.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.3 p -136.78 171.16 14.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.6 t -53.88 -47.9 70.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.823 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -125.96 -171.2 13.13 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.447 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.88 -61.08 1.9 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.859 0.361 . . . . 0.0 111.104 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -89.49 82.8 6.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.845 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -125.82 135.5 52.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -73.34 -53.16 11.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.89 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.7 HD22 ' NE1' ' A' ' 47' ' ' TRP . 2.9 tt -70.56 125.01 25.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.455 ' N ' HD23 ' A' ' 45' ' ' LEU . 60.7 mmtt -112.21 161.88 16.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.7 ' NE1' HD22 ' A' ' 45' ' ' LEU . 71.0 m95 -139.68 148.42 42.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.867 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.437 ' SG ' HD23 ' A' ' 69' ' ' LEU . 24.6 p -138.23 149.12 45.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.458 HD11 ' CB ' ' A' ' 139' ' ' CYS . 11.1 mt -106.52 138.09 43.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.589 ' HD2' HD22 ' A' ' 69' ' ' LEU . 64.3 mtp180 -115.71 114.75 25.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.558 HG13 HD11 ' A' ' 64' ' ' LEU . 19.1 t -117.96 134.86 60.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.173 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.915 ' OD1' HG23 ' A' ' 31' ' ' VAL . 4.2 m120 -124.99 102.06 31.7 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.61 0.719 . . . . 0.0 110.916 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.479 ' HA ' ' CD2' ' A' ' 64' ' ' LEU . 54.4 Cg_endo -69.71 -23.93 30.45 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.688 2.258 . . . . 0.0 112.369 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.0 ttmt -104.52 13.88 30.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 55.79 173.04 0.13 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.458 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 18.9 mt -88.99 -35.89 16.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.812 0.339 . . . . 0.0 110.942 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -130.54 173.15 11.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -68.73 -7.41 33.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -76.93 -56.34 4.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 59.5 p -104.13 38.88 1.75 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.4 ptmm? -80.23 -30.87 38.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.434 ' C ' ' OD1' ' A' ' 62' ' ' ASP . 5.2 t0 -74.81 -37.43 62.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.85 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -89.09 166.36 13.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.558 HD11 HG13 ' A' ' 51' ' ' VAL . 1.3 tm? -89.95 131.57 35.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.938 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.7 t -103.86 115.84 31.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.549 HD21 ' CD1' ' A' ' 84' ' ' PHE . 12.7 tp -124.75 126.75 46.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.476 ' N ' HD12 ' A' ' 66' ' ' LEU . 50.8 m-85 -131.21 157.72 42.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.955 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.591 ' C ' HD13 ' A' ' 68' ' ' LEU . 0.7 OUTLIER -104.77 111.05 23.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.936 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.754 HD12 ' O ' ' A' ' 109' ' ' LYS . 11.7 tp -104.38 148.75 26.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.951 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.683 HD21 ' HB3' ' A' ' 73' ' ' CYS . 41.4 tp -99.82 85.56 3.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.643 HG13 ' H ' ' A' ' 72' ' ' SER . 0.3 OUTLIER -38.02 -66.11 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.101 179.87 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.643 ' H ' HG13 ' A' ' 71' ' ' VAL . 18.9 m -146.02 147.67 31.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.82 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.683 ' HB3' HD21 ' A' ' 70' ' ' LEU . 26.1 p -137.97 145.99 50.39 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.615 0.722 . . . . 0.0 110.897 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -48.08 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.762 2.308 . . . . 0.0 112.316 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.8 pttm -95.34 169.14 10.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.934 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 66.7 m -48.91 -68.63 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -124.0 155.72 37.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.886 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.5 p -142.36 140.24 29.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 22.3 mtp180 -103.25 133.88 47.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -160.63 159.12 30.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.616 ' HG3' ' HB2' ' A' ' 102' ' ' ALA . 71.1 mttt -107.61 130.08 54.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -113.09 149.02 34.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.3 tmmm? -141.77 141.93 33.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.549 ' CD1' HD21 ' A' ' 66' ' ' LEU . 22.5 m-85 -118.67 140.49 49.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.461 ' CB ' ' HB2' ' A' ' 96' ' ' ALA . 39.1 p -156.02 148.25 23.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.836 -179.776 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.625 HD11 HG21 ' A' ' 117' ' ' ILE . 24.3 mt -106.43 132.43 53.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.148 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.8 mt -101.81 108.99 20.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.942 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.495 ' ND2' ' HG2' ' A' ' 92' ' ' GLU . 38.3 p30 -60.23 -177.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.86 -19.37 41.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.092 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.451 ' HD2' ' N ' ' A' ' 90' ' ' LYS . 4.3 mptt -95.42 11.74 31.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 58.97 30.56 66.78 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.476 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.495 ' HG2' ' ND2' ' A' ' 88' ' ' ASN . 4.1 pt-20 -103.64 133.23 49.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.866 0.365 . . . . 0.0 110.861 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -61.75 122.64 15.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.3 t -144.79 154.41 42.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 34.2 mmtt 48.64 46.98 21.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.461 ' HB2' ' CB ' ' A' ' 85' ' ' SER . . . -99.66 151.28 21.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.096 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 19.5 mtm -127.6 119.71 26.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -93.4 160.66 14.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 28.8 p -108.44 155.31 20.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -76.58 -66.69 0.78 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -124.54 168.67 12.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.616 ' HB2' ' HG3' ' A' ' 81' ' ' LYS . . . -78.2 158.41 29.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.077 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -117.45 167.49 11.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.419 ' HB3' ' NH1' ' A' ' 104' ' ' ARG . 14.7 ttm105 -78.87 105.77 10.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -96.35 120.25 36.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.513 HG22 ' HB2' ' A' ' 109' ' ' LYS . 19.4 m -132.74 149.27 31.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.139 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -42.08 97.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 106.76 23.12 7.29 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.484 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.754 ' O ' HD12 ' A' ' 69' ' ' LEU . 17.8 tptt -104.91 141.02 37.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.747 0.308 . . . . 0.0 110.943 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -128.67 121.45 28.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.477 ' CD1' ' HG3' ' A' ' 109' ' ' LYS . 93.1 m95 -135.75 132.24 36.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 176.26 -152.5 12.83 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.521 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -117.32 152.09 35.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.936 0.398 . . . . 0.0 110.863 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 34.0 tttt -80.08 -54.85 5.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.933 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 45.9 mttt -104.44 96.92 6.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.882 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.468 ' CD2' HG22 ' A' ' 117' ' ' ILE . 14.4 t80 -80.09 -52.47 7.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.625 HG21 HD11 ' A' ' 86' ' ' ILE . 2.2 tt -169.18 146.54 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.146 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 17.0 mtt85 -59.2 115.81 3.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.548 ' HA ' HD13 ' A' ' 122' ' ' LEU . 33.4 mtp180 -48.06 -43.39 30.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -49.22 -40.4 33.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.475 ' CD2' ' ND2' ' A' ' 127' ' ' ASN . 10.6 t80 -62.91 -33.12 74.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.929 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.56 ' HA ' HD12 ' A' ' 129' ' ' LEU . 6.7 mp -70.7 -56.49 6.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.918 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.624 HD22 ' H ' ' A' ' 123' ' ' LEU . 2.2 mm? -70.99 0.46 7.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -77.45 119.75 21.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -68.19 -34.53 76.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -51.58 -30.0 19.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.051 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.475 ' ND2' ' CD2' ' A' ' 121' ' ' PHE . 57.4 m-20 -89.07 -34.46 16.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.401 ' O ' ' N ' ' A' ' 130' ' ' LEU . . . 82.3 -5.72 71.35 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.457 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.597 ' O ' HD23 ' A' ' 130' ' ' LEU . 31.2 mt -39.49 -29.5 0.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.841 0.353 . . . . 0.0 110.896 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.597 HD23 ' O ' ' A' ' 129' ' ' LEU . 13.5 mt -130.45 87.13 51.27 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.61 0.719 . . . . 0.0 110.908 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -25.01 29.15 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.645 2.23 . . . . 0.0 112.378 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -134.46 26.75 3.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 20' ' ' ASN . 4.2 m-20 65.98 36.62 5.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.879 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -122.73 120.72 34.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 68.5 tp -92.63 100.85 13.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.524 HG23 ' HG2' ' A' ' 15' ' ' MET . 97.1 m -85.91 95.43 9.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.128 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 10.9 mt -89.98 110.4 21.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' PHE . . . . . 0.541 ' CE1' ' HB2' ' A' ' 13' ' ' SER . 7.9 t80 -92.42 108.2 19.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.953 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' CYS . . . . . 0.458 ' CB ' HD11 ' A' ' 49' ' ' LEU . 48.9 t -108.4 145.21 34.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -131.32 125.79 33.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 45.3 t -114.53 134.92 56.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.111 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 2.9 m -125.28 112.31 16.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.842 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.408 ' O ' HG23 ' A' ' 9' ' ' VAL . 96.4 t -86.86 121.4 37.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.145 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 144' ' ' VAL . 28.0 m -71.3 127.81 33.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.16 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 43.0 mm-40 -109.67 171.0 7.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' ASP . . . . . 0.824 ' O ' HG22 ' A' ' 148' ' ' VAL . 71.2 m-20 -109.54 70.81 0.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 57.2 p 43.05 42.47 3.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.824 HG22 ' O ' ' A' ' 146' ' ' ASP . 2.7 m -154.86 152.53 9.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.089 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -103.11 174.19 5.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 72.7 mt -106.91 117.75 53.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 37.9 t -59.72 107.43 0.6 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.828 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 155.07 -162.56 30.99 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.472 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 53.9 mm-40 -138.89 149.46 44.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.841 0.353 . . . . 0.0 110.913 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 25.5 m -97.49 -55.11 2.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 118.3 135.95 5.38 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.489 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 176.85 6.18 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.677 2.252 . . . . 0.0 112.393 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 42.0 t -113.0 97.75 6.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 60.3 p 42.75 40.53 2.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.85 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.517 -179.994 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.3 m -60.72 160.1 9.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.829 0.347 . . . . 0.0 110.843 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.6 p -101.05 -61.1 1.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.847 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.61 -59.84 0.36 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.448 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.3 t -112.16 143.67 42.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.9 0.381 . . . . 0.0 110.877 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -141.36 140.96 33.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.14 -108.73 0.37 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.446 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 42.1 tttt -84.8 156.2 21.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.846 0.355 . . . . 0.0 110.841 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.5 p -141.26 131.17 25.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.117 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 84.3 t -100.77 113.39 36.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.077 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.66 151.2 39.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.518 ' CD2' ' HB2' ' A' ' 39' ' ' SER . 21.4 p90 -137.68 146.39 43.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.483 ' HB2' ' CE1' ' A' ' 138' ' ' PHE . 88.9 p -110.42 128.48 55.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.686 ' CD2' ' CD1' ' A' ' 37' ' ' PHE . 38.5 t80 -125.65 108.0 11.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.939 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 26.6 ttm -87.73 121.13 29.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.884 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.451 ' CE3' ' HB3' ' A' ' 34' ' ' SER . 11.4 t90 -116.79 101.49 8.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 98.8 m -92.47 121.54 34.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.18 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 34.3 mt -100.37 98.77 7.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.185 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.441 ' O ' ' CG ' ' A' ' 20' ' ' ASN . 0.4 OUTLIER -58.9 148.06 31.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.516 ' O ' ' ND2' ' A' ' 20' ' ' ASN . 0.6 OUTLIER 47.16 46.87 16.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -57.33 -25.99 60.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 40.7 t -73.64 -16.53 61.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -92.13 13.42 19.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.887 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.4 p -41.26 110.08 0.15 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -82.4 -42.91 18.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.909 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 25' ' ' ARG . 26.1 tt0 -37.08 136.22 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -96.9 163.22 13.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 6.4 ttm -38.22 143.7 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.06 -70.88 1.98 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.462 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.403 ' HB3' ' CG ' ' A' ' 26' ' ' GLU . 8.5 mm-40 -42.26 159.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.867 0.365 . . . . 0.0 110.899 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 12.6 p -135.72 145.21 31.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.129 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 60.1 mt -96.5 105.94 17.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.107 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.7 mtmm -89.27 125.72 35.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.451 ' HB3' ' CE3' ' A' ' 16' ' ' TRP . 36.5 p -83.63 173.88 11.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.9 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 77.6 p -60.2 169.93 1.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 44.7 p -93.16 125.81 37.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.098 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.686 ' CD1' ' CD2' ' A' ' 14' ' ' TYR . 9.0 p90 -121.67 148.65 44.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.5 p -136.22 -179.8 5.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.518 ' HB2' ' CD2' ' A' ' 12' ' ' PHE . 24.8 t -90.05 41.64 1.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 140.15 165.64 10.36 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.491 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.12 -48.35 62.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.763 0.316 . . . . 0.0 111.069 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -82.07 42.93 0.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -115.31 130.2 56.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -83.57 -43.91 15.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.711 HD21 ' HZ2' ' A' ' 47' ' ' TRP . 22.8 tp -62.81 121.8 14.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -111.89 168.88 9.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.927 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.711 ' HZ2' HD21 ' A' ' 45' ' ' LEU . 77.8 m95 -148.04 149.95 33.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.475 ' SG ' HD23 ' A' ' 69' ' ' LEU . 21.4 p -142.12 144.32 33.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.859 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 14.4 mt -103.79 133.79 48.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 20.0 mtt180 -107.72 106.18 16.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.83 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.735 HG22 HD13 ' A' ' 66' ' ' LEU . 52.4 t -106.97 143.6 17.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.511 ' ND2' ' O ' ' A' ' 65' ' ' SER . 0.0 OUTLIER -134.13 102.63 11.95 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.643 0.735 . . . . 0.0 110.899 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.614 ' HA ' HD12 ' A' ' 64' ' ' LEU . 53.7 Cg_endo -69.72 -30.86 21.79 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.714 2.276 . . . . 0.0 112.364 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.7 ttmm -100.6 31.96 3.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 43.1 -161.06 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 21.7 mt -121.42 -44.62 2.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.812 0.339 . . . . 0.0 110.915 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -135.02 163.31 30.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -52.07 -19.51 1.94 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -69.67 -46.31 66.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 92.1 p -120.95 46.26 2.07 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.9 ptmm? -88.29 -33.62 17.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.599 ' OD1' ' CD2' ' A' ' 63' ' ' TYR . 0.5 OUTLIER -69.69 -42.51 73.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 179.893 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.599 ' CD2' ' OD1' ' A' ' 62' ' ' ASP . 1.0 OUTLIER -91.09 168.46 11.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 -179.838 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.614 HD12 ' HA ' ' A' ' 53' ' ' PRO . 4.0 tp -89.63 150.14 22.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.92 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.511 ' O ' ' ND2' ' A' ' 52' ' ' ASN . 9.3 t -114.41 102.76 10.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.735 HD13 HG22 ' A' ' 51' ' ' VAL . 57.2 tp -108.8 133.68 52.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -143.05 142.76 31.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 56.4 tp -97.44 102.74 14.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.608 HD12 ' O ' ' A' ' 109' ' ' LYS . 7.2 tp -94.48 138.23 32.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.759 HD21 ' HB3' ' A' ' 73' ' ' CYS . 28.4 tp -86.86 83.36 7.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.666 HG13 ' H ' ' A' ' 72' ' ' SER . 0.6 OUTLIER -36.86 -64.71 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.176 179.815 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.666 ' H ' HG13 ' A' ' 71' ' ' VAL . 22.3 t -147.53 144.77 28.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.759 ' HB3' HD21 ' A' ' 70' ' ' LEU . 29.8 p -134.39 142.98 44.91 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.599 0.714 . . . . 0.0 110.898 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -37.07 9.65 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.701 2.268 . . . . 0.0 112.343 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.1 pttm -107.97 155.74 19.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 73.9 m -38.55 -71.44 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.81 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -117.34 154.3 31.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.3 p -141.75 130.85 23.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.153 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.886 ' O ' HG22 ' A' ' 144' ' ' VAL . 33.0 mtp85 -99.24 133.02 44.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -160.7 161.37 32.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.098 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.509 ' HG3' ' HB2' ' A' ' 102' ' ' ALA . 61.5 mttm -104.5 133.51 49.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.942 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -114.83 145.42 42.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.421 ' CG ' ' HG2' ' A' ' 98' ' ' GLU . 5.1 tmmm? -144.57 124.2 13.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.4 ' CG ' HD23 ' A' ' 66' ' ' LEU . 22.2 m-85 -103.64 147.91 26.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 91.3 p -158.88 158.04 32.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.459 HD11 ' CE2' ' A' ' 116' ' ' PHE . 23.3 mt -120.17 132.68 69.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.089 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.6 mt -94.49 106.73 18.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.632 ' ND2' ' H ' ' A' ' 92' ' ' GLU . 0.5 OUTLIER -60.31 -174.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.899 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.83 -35.43 61.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.09 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.05 15.59 2.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.72 23.93 46.19 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.513 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.632 ' H ' ' ND2' ' A' ' 88' ' ' ASN . 21.3 mt-10 -104.3 137.34 42.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.839 0.352 . . . . 0.0 110.893 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -54.26 140.86 31.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.442 HG21 HD11 ' A' ' 129' ' ' LEU . 5.9 t -160.32 143.95 13.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.589 ' HE3' ' CZ ' ' A' ' 121' ' ' PHE . 28.4 mmtt 55.97 45.7 23.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -90.66 158.54 16.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.058 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.408 ' HE3' ' CG ' ' A' ' 113' ' ' PHE . 13.0 mtm -133.55 115.11 14.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.421 ' HG2' ' CG ' ' A' ' 83' ' ' LYS . 22.2 mt-10 -91.25 169.7 10.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.916 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 45.2 t -115.01 151.28 34.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.827 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -59.36 -56.33 23.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 56.9 mtt180 -150.78 175.46 11.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.509 ' HB2' ' HG3' ' A' ' 81' ' ' LYS . . . -65.9 155.26 36.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.114 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -121.94 169.17 11.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.945 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 5.8 ttp-105 -83.8 101.86 11.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -95.3 123.9 39.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.57 ' C ' HD23 ' A' ' 70' ' ' LEU . 19.7 m -128.3 161.18 37.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.161 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -49.71 107.93 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 91.12 23.14 30.5 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.501 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.608 ' O ' HD12 ' A' ' 69' ' ' LEU . 9.0 tptt -98.34 146.98 25.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.816 0.341 . . . . 0.0 110.846 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -130.51 127.61 39.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 88.6 m95 -142.0 132.96 25.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.961 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 173.25 -145.6 8.45 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.498 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.408 ' CG ' ' HE3' ' A' ' 97' ' ' MET . 7.0 m-85 -127.69 152.4 47.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.879 0.371 . . . . 0.0 110.897 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 23.5 tttp -79.62 -56.45 4.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.487 ' HG2' ' CD2' ' A' ' 63' ' ' TYR . 0.2 OUTLIER -98.34 99.94 11.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.921 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.459 ' CE2' HD11 ' A' ' 86' ' ' ILE . 14.4 t80 -86.45 -50.82 6.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.612 HG21 HD21 ' A' ' 122' ' ' LEU . 5.4 tp -167.26 151.3 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.499 ' N ' HG13 ' A' ' 117' ' ' ILE . 15.8 mtm180 -67.34 110.43 3.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.593 ' HA ' HD12 ' A' ' 122' ' ' LEU . 19.0 ttp85 -42.66 -42.12 3.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.62 -35.97 75.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.589 ' CZ ' ' HE3' ' A' ' 95' ' ' LYS . 57.3 t80 -66.79 -26.33 66.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.612 HD21 HG21 ' A' ' 117' ' ' ILE . 13.7 mt -72.4 -46.89 53.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.898 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.83 HD13 HD12 ' A' ' 130' ' ' LEU . 3.1 mm? -74.64 -38.81 62.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.454 ' C ' ' O ' ' A' ' 123' ' ' LEU . 28.6 m-20 -33.78 139.33 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -77.77 -33.39 52.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -47.66 -44.62 27.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.082 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.472 ' HB2' ' CD2' ' A' ' 129' ' ' LEU . 22.2 m-80 -88.57 -46.42 9.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 71.45 40.46 59.94 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.504 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.517 HD21 ' CE1' ' A' ' 121' ' ' PHE . 2.7 mm? -61.54 -24.0 66.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.87 0.367 . . . . 0.0 110.939 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.83 HD12 HD13 ' A' ' 123' ' ' LEU . 2.2 mt -126.91 86.77 58.09 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.638 0.733 . . . . 0.0 110.902 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -30.87 21.52 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.712 2.274 . . . . 0.0 112.323 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -120.42 27.87 8.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.829 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 61.73 25.35 15.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 1.5 ptpt -123.88 124.35 42.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 31.8 tp -88.75 115.75 26.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.938 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 62.9 m -97.82 102.08 13.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.091 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 5.2 mt -96.45 116.26 28.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' PHE . . . . . 0.483 ' CE1' ' HB2' ' A' ' 13' ' ' SER . 5.9 t80 -102.6 110.15 21.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 49.4 t -112.26 151.88 29.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -134.9 120.14 18.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 48.0 t -111.06 122.04 64.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.181 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 19.3 m -108.25 110.15 21.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 59.7 t -83.9 124.78 39.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.886 HG22 ' O ' ' A' ' 79' ' ' ARG . 21.8 m -86.05 102.68 11.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.117 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -128.27 166.69 18.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.961 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' ASP . . . . . 0.591 ' O ' HG13 ' A' ' 148' ' ' VAL . 12.9 t70 -68.66 144.57 54.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 2.6 m -48.71 124.76 8.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.851 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.591 HG13 ' O ' ' A' ' 146' ' ' ASP . 26.8 m -128.59 131.11 69.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.169 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -44.48 165.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 45.4 mt -56.4 118.78 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.171 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 6.7 t -102.16 131.49 48.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 84.94 58.52 2.1 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.505 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -56.0 97.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.796 0.331 . . . . 0.0 110.943 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 8.6 t -159.75 131.87 6.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.843 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -47.75 123.18 8.6 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.52 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -178.1 2.2 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.683 2.255 . . . . 0.0 112.309 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 93.1 p -88.53 166.23 14.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.841 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 46.8 t -111.65 161.93 15.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.846 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.492 179.989 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.6 m -65.96 110.47 2.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.891 0.377 . . . . 0.0 110.86 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 t -87.21 166.85 14.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.887 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.69 131.99 0.16 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.508 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 m -76.21 153.11 36.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.846 0.355 . . . . 0.0 110.867 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.3 t -163.41 117.54 1.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.88 -179.54 48.65 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.514 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.466 ' HD3' ' N ' ' A' ' 9' ' ' VAL . 4.4 tmtm? -73.59 150.9 41.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.824 0.345 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.466 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 7.6 p -128.8 135.02 63.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.084 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 82.4 t -100.59 103.49 14.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.099 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.82 162.46 17.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.831 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 13.8 p90 -154.88 144.0 21.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.404 ' HB2' ' CE1' ' A' ' 138' ' ' PHE . 78.5 p -109.99 125.85 53.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.57 ' HB2' ' CD2' ' A' ' 37' ' ' PHE . 45.3 t80 -115.04 110.91 20.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 31.6 ttm -85.57 117.71 24.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.878 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.444 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 7.8 t90 -112.37 101.31 9.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.944 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 96.0 m -98.24 112.49 24.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.147 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.425 ' CG1' ' NE1' ' A' ' 16' ' ' TRP . 29.4 mt -95.94 99.74 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -61.56 138.59 58.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 133' ' ' ASP . 74.9 m-80 56.75 51.54 10.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -54.71 -14.15 1.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.0 t -68.73 -21.32 64.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.652 ' CD1' ' C ' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -83.09 -30.19 28.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.852 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.447 ' C ' ' O ' ' A' ' 23' ' ' PHE . 1.7 m -34.08 104.64 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.426 ' NH1' ' HB2' ' A' ' 25' ' ' ARG . 0.8 OUTLIER -128.84 97.58 4.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.853 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 27' ' ' GLU . 0.6 OUTLIER -115.41 93.03 4.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 26' ' ' GLU . 11.2 mm-40 -35.71 152.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.404 ' C ' ' O ' ' A' ' 27' ' ' GLU . 2.8 tpt -37.02 108.41 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.872 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 109.76 -50.52 0.77 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.484 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -39.42 159.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.879 0.371 . . . . 0.0 110.871 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.413 HG21 ' HB3' ' A' ' 50' ' ' ARG . 14.4 p -156.06 141.65 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 46.4 mt -89.01 104.93 15.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.151 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.8 mtmt -90.89 111.76 23.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.2 p -74.06 171.12 14.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.872 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.4 m -59.21 -176.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 20.3 p -99.15 127.84 45.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.135 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.57 ' CD2' ' HB2' ' A' ' 14' ' ' TYR . 30.5 p90 -131.0 141.58 50.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 t -140.17 -176.91 4.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.859 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 82.5 p -63.16 -8.38 7.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.853 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -175.86 137.99 3.97 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.515 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -43.74 -58.68 2.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.821 0.344 . . . . 0.0 111.099 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.2 p30 -76.24 83.48 3.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -151.24 163.72 38.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt -91.77 -48.71 6.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.753 HD23 ' N ' ' A' ' 46' ' ' LYS . 3.0 tt -74.48 137.54 42.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.753 ' N ' HD23 ' A' ' 45' ' ' LEU . 31.9 mmtm -127.55 166.54 17.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.708 ' NE1' HD22 ' A' ' 45' ' ' LEU . 72.6 m95 -145.36 139.74 27.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 24.7 p -128.71 165.45 20.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.93 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.462 HD11 ' CB ' ' A' ' 139' ' ' CYS . 20.5 mt -121.3 132.12 54.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.413 ' HB3' HG21 ' A' ' 31' ' ' VAL . 47.7 mtt180 -109.38 106.07 15.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.848 HG13 HD11 ' A' ' 64' ' ' LEU . 42.9 t -107.68 132.7 54.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.089 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.572 ' O ' HD22 ' A' ' 64' ' ' LEU . 0.7 OUTLIER -121.13 101.82 44.16 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.583 0.706 . . . . 0.0 110.861 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.502 ' HA ' ' CD2' ' A' ' 64' ' ' LEU . 54.2 Cg_endo -69.73 -19.53 36.16 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.73 2.287 . . . . 0.0 112.318 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.1 mttt -106.89 -4.14 19.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 72.94 150.08 1.22 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 81.5 mt -61.97 -59.78 4.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.845 0.355 . . . . 0.0 110.911 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -117.28 169.91 9.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -57.37 -13.49 3.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -64.01 -49.16 73.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 84.8 p -116.32 45.91 1.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.83 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.9 ptmm? -77.71 -31.55 52.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.941 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -87.23 -13.29 44.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.413 ' CE2' ' HG3' ' A' ' 118' ' ' ARG . 10.2 m-85 -107.63 164.93 11.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.848 HD11 HG13 ' A' ' 51' ' ' VAL . 2.2 tm? -94.77 125.23 39.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 t -99.92 113.25 25.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.717 ' HG ' HG22 ' A' ' 51' ' ' VAL . 4.2 tt -125.83 113.9 17.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.944 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -118.5 161.39 20.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.535 ' C ' HD13 ' A' ' 68' ' ' LEU . 1.9 tm? -104.65 100.91 10.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.965 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.407 HD12 ' O ' ' A' ' 109' ' ' LYS . 6.3 tp -94.97 143.13 26.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.849 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.824 HD21 ' HB3' ' A' ' 73' ' ' CYS . 60.0 tp -92.23 89.92 7.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.878 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.583 HG22 ' N ' ' A' ' 72' ' ' SER . 0.1 OUTLIER -42.78 -66.45 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.858 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.583 ' N ' HG22 ' A' ' 71' ' ' VAL . 40.6 t -143.81 141.59 30.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.824 ' HB3' HD21 ' A' ' 70' ' ' LEU . 5.2 p -143.09 129.28 10.38 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.565 0.698 . . . . 0.0 110.876 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -43.71 2.52 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.688 2.259 . . . . 0.0 112.373 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.847 ' HE3' HG13 ' A' ' 78' ' ' VAL . 1.1 pttt -81.69 144.53 31.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 75' ' ' LYS . 36.1 m -33.98 -52.64 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.827 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.472 ' CG ' ' HD2' ' A' ' 104' ' ' ARG . 7.7 pt-20 -137.74 175.75 9.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.838 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.847 HG13 ' HE3' ' A' ' 75' ' ' LYS . 1.9 t -148.27 129.77 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.106 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.539 ' O ' HG22 ' A' ' 144' ' ' VAL . 5.6 mtt-85 -107.6 108.99 20.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -142.25 173.84 11.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.1 mttm -119.19 127.05 52.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.595 ' CD1' ' CZ ' ' A' ' 84' ' ' PHE . 53.0 p90 -107.55 146.56 31.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.432 ' HD3' ' HB1' ' A' ' 96' ' ' ALA . 2.7 tmmm? -139.32 123.1 17.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.955 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.595 ' CZ ' ' CD1' ' A' ' 82' ' ' PHE . 6.7 m-85 -107.32 138.25 43.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.895 ' OG ' ' HB2' ' A' ' 96' ' ' ALA . 1.4 t -150.51 179.34 8.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 -179.722 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.54 ' O ' HG22 ' A' ' 94' ' ' THR . 17.1 mt -138.03 134.17 44.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.132 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.0 mt -93.48 107.43 19.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.914 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.416 ' OD1' ' N ' ' A' ' 90' ' ' LYS . 42.3 p30 -62.04 -176.51 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.92 -27.31 51.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.162 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.448 ' HD2' ' N ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -91.33 13.72 16.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.15 32.16 59.73 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.491 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -109.88 121.33 44.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.782 0.325 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -42.98 135.58 3.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.54 HG22 ' O ' ' A' ' 86' ' ' ILE . 5.8 t -151.23 148.31 28.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.52 ' HE2' ' CE2' ' A' ' 121' ' ' PHE . 32.0 mmtm 55.12 41.41 31.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.895 ' HB2' ' OG ' ' A' ' 85' ' ' SER . . . -84.26 154.33 23.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 7.6 mtm -143.68 114.71 7.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -111.9 170.86 7.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 6.7 t -116.13 141.82 47.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.849 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -56.78 -68.69 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -101.64 170.27 8.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -79.67 163.74 24.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -121.02 153.65 37.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.472 ' HD2' ' CG ' ' A' ' 77' ' ' GLU . 7.6 tpp180 -74.42 130.47 39.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.886 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.699 ' HB3' HD22 ' A' ' 70' ' ' LEU . 23.4 m-85 -120.3 136.12 54.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.64 HG22 ' HB2' ' A' ' 109' ' ' LYS . 17.5 m -142.87 144.59 24.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.123 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -38.85 92.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 106' ' ' VAL . . . 111.59 21.38 6.5 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.64 ' HB2' HG22 ' A' ' 106' ' ' VAL . 26.3 tptt -106.21 145.67 31.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.775 0.321 . . . . 0.0 110.911 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -135.91 125.34 24.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -132.68 135.71 45.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.492 ' HA2' ' CZ ' ' A' ' 82' ' ' PHE . . . 172.11 -149.34 11.67 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.47 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -123.18 155.02 37.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.913 0.387 . . . . 0.0 110.892 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 26.9 tttt -81.92 -55.28 4.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 40.5 mttt -101.37 93.56 5.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.902 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -81.92 -48.62 11.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.587 ' CG2' HD11 ' A' ' 122' ' ' LEU . 8.0 tp -163.73 152.58 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.172 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.478 ' N ' HG13 ' A' ' 117' ' ' ILE . 26.5 mtm180 -72.92 112.13 8.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.512 ' HA ' HD13 ' A' ' 122' ' ' LEU . 14.7 ttp180 -48.13 -35.64 11.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.94 -33.27 75.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.52 ' CE2' ' HE2' ' A' ' 95' ' ' LYS . 83.5 t80 -66.87 -35.33 79.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.587 HD11 ' CG2' ' A' ' 117' ' ' ILE . 5.9 mp -65.9 -67.61 0.43 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.6 mt -51.45 -18.28 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -49.2 161.11 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -98.46 -33.85 10.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -56.07 -38.51 70.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.126 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.485 ' HB2' ' CD2' ' A' ' 129' ' ' LEU . 12.0 m-20 -92.27 -38.45 12.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 61.87 43.53 99.08 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.503 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.706 ' O ' HD23 ' A' ' 130' ' ' LEU . 1.9 mm? -61.81 -12.9 19.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.807 0.337 . . . . 0.0 110.92 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.706 HD23 ' O ' ' A' ' 129' ' ' LEU . 2.7 mt -133.79 89.21 30.81 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.578 0.704 . . . . 0.0 110.904 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 130' ' ' LEU . 53.2 Cg_endo -69.82 -34.37 14.51 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.681 2.254 . . . . 0.0 112.331 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -120.7 26.5 9.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 20' ' ' ASN . 5.6 m-20 65.13 32.41 10.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 4.6 ptpt -127.77 138.77 52.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.406 HD13 HD23 ' A' ' 122' ' ' LEU . 50.2 tp -101.07 95.9 6.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.934 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 90.2 m -78.66 96.4 5.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.15 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 13.2 mt -89.99 112.27 23.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' PHE . . . . . 0.404 ' CE1' ' HB2' ' A' ' 13' ' ' SER . 15.1 t80 -97.94 105.36 17.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' CYS . . . . . 0.462 ' CB ' HD11 ' A' ' 49' ' ' LEU . 49.7 t -103.68 147.13 27.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -135.76 113.48 10.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 15.6 t -110.15 135.17 50.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 19.9 m -122.67 107.41 11.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.854 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 93.5 t -84.39 128.82 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 144' ' ' VAL . 12.8 m -78.92 117.45 24.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.169 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -122.09 179.26 4.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.941 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -79.05 165.84 22.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 50.4 p -76.95 132.33 38.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.488 ' O ' HG23 ' A' ' 148' ' ' VAL . 33.1 m -154.4 122.74 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.119 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -71.32 106.83 4.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' ILE . . . . . 0.712 HD12 ' H ' ' A' ' 150' ' ' ILE . 5.4 mp -52.54 97.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.157 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 56.9 p -54.01 161.99 1.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 70.43 138.36 0.14 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.463 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -85.88 -34.52 20.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.788 0.328 . . . . 0.0 110.887 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 26.7 t -104.1 -59.7 1.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 131.77 146.28 5.72 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 0.47 5.61 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.686 2.257 . . . . 0.0 112.333 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 28.1 m -72.83 121.65 20.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 5.1 t -80.44 127.41 32.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.495 -179.942 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.6 p -56.91 -41.63 78.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.875 0.369 . . . . 0.0 110.843 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.9 m -122.38 111.63 17.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.857 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.06 -127.63 0.91 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.529 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.1 t -146.27 154.89 42.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.892 0.377 . . . . 0.0 110.852 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.6 t -128.79 132.51 47.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.824 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.83 -125.71 0.93 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.466 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.467 ' HD2' ' N ' ' A' ' 9' ' ' VAL . 2.4 tmmm? -71.78 147.26 47.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.783 0.325 . . . . 0.0 110.928 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.659 HG13 ' HE2' ' A' ' 11' ' ' LYS . 2.7 p -137.79 162.53 31.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.58 ' N ' HG22 ' A' ' 9' ' ' VAL . 55.9 t -120.66 97.6 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.097 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.659 ' HE2' HG13 ' A' ' 9' ' ' VAL . 11.4 mtmt -104.03 170.79 7.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.559 ' CZ ' ' HB ' ' A' ' 141' ' ' VAL . 25.9 p90 -169.32 133.69 1.41 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 89.1 p -109.01 141.17 41.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -131.15 110.01 10.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 33.8 ttm -85.95 117.73 24.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.88 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.704 ' CZ2' HD11 ' A' ' 18' ' ' ILE . 8.6 t90 -115.93 98.7 6.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.954 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 99.1 m -91.43 107.69 19.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.17 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.704 HD11 ' CZ2' ' A' ' 16' ' ' TRP . 21.5 mt -87.73 99.51 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.089 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.565 ' ND2' ' H ' ' A' ' 19' ' ' ASN . 0.3 OUTLIER -65.88 130.42 43.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.855 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.436 ' OD1' ' N ' ' A' ' 20' ' ' ASN . 0.4 OUTLIER 67.5 52.13 0.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.459 ' CE1' ' HB3' ' A' ' 53' ' ' PRO . 54.5 t80 -69.12 -44.11 73.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.9 t -65.79 -10.34 36.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -90.1 -25.66 20.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.863 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.663 ' SG ' HD11 ' A' ' 32' ' ' ILE . 5.3 t -45.86 101.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.1 mmm180 -88.63 23.11 2.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.475 ' O ' ' CE ' ' A' ' 54' ' ' LYS . 7.9 tp10 -52.27 162.57 0.49 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.447 ' HG3' ' N ' ' A' ' 28' ' ' MET . 3.8 tt0 -104.97 154.11 20.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.447 ' N ' ' HG3' ' A' ' 27' ' ' GLU . 5.1 ttm -43.87 134.72 4.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.25 -62.28 0.88 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.487 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -40.7 136.01 1.48 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.94 0.4 . . . . 0.0 110.846 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.0 p -123.72 141.94 42.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.131 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.663 HD11 ' SG ' ' A' ' 24' ' ' CYS . 85.1 mt -92.25 101.87 13.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.5 mttm -84.56 116.62 23.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 83.4 p -76.23 169.25 18.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.829 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.7 m -60.79 170.97 1.29 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.868 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 73.0 p -86.39 123.99 32.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.183 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -116.33 156.11 27.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.5 p -139.79 -176.02 4.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.841 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 92.0 p -59.66 -36.63 76.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.801 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 170.09 -97.98 0.13 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.477 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -49.44 174.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.8 0.333 . . . . 0.0 111.073 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 32.4 m-80 -62.43 93.22 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -101.89 164.13 11.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -85.16 -46.59 10.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.667 HD22 ' NE1' ' A' ' 47' ' ' TRP . 1.7 tt -71.33 120.64 17.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 36.5 mmtm -115.44 162.0 17.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.667 ' NE1' HD22 ' A' ' 45' ' ' LEU . 77.2 m95 -139.12 157.4 46.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.954 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.447 ' SG ' HD23 ' A' ' 69' ' ' LEU . 1.9 p -143.03 148.93 37.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 49' ' ' LEU . 11.6 mt -107.72 132.64 53.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 40.1 mtp180 -111.04 103.72 12.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.502 HG13 HD21 ' A' ' 64' ' ' LEU . 61.3 t -107.29 135.89 44.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -122.06 102.2 40.86 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.63 0.729 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.596 ' HA ' HD12 ' A' ' 64' ' ' LEU . 53.8 Cg_endo -69.7 -15.88 37.54 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.717 2.278 . . . . 0.0 112.321 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.475 ' CE ' ' O ' ' A' ' 26' ' ' GLU . 18.7 mttm -116.25 25.32 10.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.914 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 50.11 -156.97 2.01 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.481 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.4 mt -125.12 -44.94 1.88 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.782 0.325 . . . . 0.0 110.91 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.453 ' OD2' ' CE ' ' A' ' 114' ' ' LYS . 0.1 OUTLIER -127.64 161.43 28.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.831 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -48.42 -30.94 5.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.937 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -62.71 -60.96 2.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.401 ' CB ' ' HD3' ' A' ' 115' ' ' LYS . 92.5 p -93.03 39.88 1.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.888 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.408 ' CG ' ' N ' ' A' ' 62' ' ' ASP . 13.5 ptmt -85.88 -43.71 13.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.408 ' N ' ' CG ' ' A' ' 61' ' ' LYS . 14.7 t0 -66.42 -23.83 66.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.837 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.581 ' CE2' ' HG3' ' A' ' 118' ' ' ARG . 2.3 m-85 -106.5 167.29 9.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.596 HD12 ' HA ' ' A' ' 53' ' ' PRO . 4.3 tp -90.57 141.08 29.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.916 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.3 t -109.16 99.3 8.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.667 HD22 ' CE2' ' A' ' 84' ' ' PHE . 6.5 tt -108.45 139.14 43.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.914 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.507 ' N ' HD23 ' A' ' 66' ' ' LEU . 41.7 m-85 -143.77 144.63 31.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' A' ' 82' ' ' PHE . 20.9 tp -98.52 109.71 22.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.928 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.831 HD12 ' O ' ' A' ' 109' ' ' LYS . 6.0 tp -100.36 148.19 24.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.937 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.736 HD22 ' HB3' ' A' ' 105' ' ' PHE . 53.9 tp -95.46 88.12 4.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.653 HG13 ' H ' ' A' ' 72' ' ' SER . 0.8 OUTLIER -43.27 -61.67 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.81 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.653 ' H ' HG13 ' A' ' 71' ' ' VAL . 9.4 m -144.94 150.98 37.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.714 ' HB3' HD21 ' A' ' 70' ' ' LEU . 16.7 p -151.66 136.99 10.77 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.617 0.722 . . . . 0.0 110.88 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -51.14 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.719 2.279 . . . . 0.0 112.299 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.817 ' HE2' HG13 ' A' ' 78' ' ' VAL . 15.0 pttm -83.35 149.48 26.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 75' ' ' LYS . 33.3 t -34.12 -54.61 0.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.401 ' HA ' ' O ' ' A' ' 105' ' ' PHE . 5.5 pt-20 -134.74 170.88 15.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.901 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.817 HG13 ' HE2' ' A' ' 75' ' ' LYS . 2.3 t -139.39 131.24 35.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -106.42 109.11 20.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -146.4 158.87 43.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.137 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.521 ' HG3' ' HB2' ' A' ' 102' ' ' ALA . 56.1 mttt -106.7 121.87 45.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.466 ' HB3' ' CD2' ' A' ' 68' ' ' LEU . 53.8 p90 -105.94 153.54 21.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.861 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.34 126.17 14.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.667 ' CE2' HD22 ' A' ' 66' ' ' LEU . 21.8 m-85 -99.46 145.27 27.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.503 ' CB ' ' HB2' ' A' ' 96' ' ' ALA . 89.0 p -158.99 154.9 26.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.816 HD11 HG21 ' A' ' 117' ' ' ILE . 43.7 mt -114.82 130.31 69.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.162 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.4 mt -94.16 108.02 19.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.449 ' C ' ' OD1' ' A' ' 88' ' ' ASN . 25.1 p30 -56.4 179.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -52.02 -33.18 37.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.079 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.437 ' HD2' ' N ' ' A' ' 90' ' ' LYS . 1.1 mptp? -85.4 17.84 2.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 55.85 23.73 38.83 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.53 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -97.9 139.84 33.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.874 0.369 . . . . 0.0 110.859 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -60.55 136.9 58.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.9 t -162.58 137.52 6.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.161 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.58 ' HE3' ' CE2' ' A' ' 121' ' ' PHE . 23.4 mmtt 63.7 48.7 3.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.503 ' HB2' ' CB ' ' A' ' 85' ' ' SER . . . -101.06 144.41 30.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.074 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.437 ' CE ' ' CG ' ' A' ' 113' ' ' PHE . 9.0 mtm -117.19 125.07 50.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -96.46 164.02 12.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.1 t -113.83 152.88 30.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -62.48 -66.41 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 24.6 mtp180 -137.72 176.51 8.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.521 ' HB2' ' HG3' ' A' ' 81' ' ' LYS . . . -64.7 158.12 25.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.098 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -123.64 165.4 17.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.438 ' CZ ' HG11 ' A' ' 106' ' ' VAL . 61.0 ttt-85 -80.99 121.62 26.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.736 ' HB3' HD22 ' A' ' 70' ' ' LEU . 7.9 m-85 -113.11 120.96 43.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.847 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.598 HG22 ' HB2' ' A' ' 109' ' ' LYS . 15.9 m -130.93 143.49 40.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.146 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -39.91 95.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 106' ' ' VAL . . . 109.8 23.89 6.02 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.488 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.831 ' O ' HD12 ' A' ' 69' ' ' LEU . 17.9 tptt -106.64 153.27 22.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.749 0.309 . . . . 0.0 110.91 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -139.45 125.05 19.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -137.24 127.92 27.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.972 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -175.58 -143.95 4.82 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.502 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.437 ' CG ' ' CE ' ' A' ' 97' ' ' MET . 15.1 m-85 -133.0 151.37 52.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.944 0.402 . . . . 0.0 110.854 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.453 ' CE ' ' OD2' ' A' ' 57' ' ' ASP . 21.9 tttp -78.78 -53.84 6.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.851 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.401 ' HD3' ' CB ' ' A' ' 60' ' ' SER . 12.2 mmtp -101.88 96.4 7.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.656 ' CD2' HG22 ' A' ' 117' ' ' ILE . 27.6 t80 -85.05 -49.21 8.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.816 HG21 HD11 ' A' ' 86' ' ' ILE . 1.0 OUTLIER -171.41 144.09 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.581 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 62.6 mtt180 -57.49 110.9 0.95 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.429 ' HA ' HD13 ' A' ' 122' ' ' LEU . 19.8 ttp180 -45.43 -36.25 4.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -57.36 -42.92 82.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.58 ' CE2' ' HE3' ' A' ' 95' ' ' LYS . 46.0 t80 -54.1 -41.12 67.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.429 HD13 ' HA ' ' A' ' 119' ' ' ARG . 8.9 mp -58.95 -61.96 2.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.948 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.475 ' N ' ' CD1' ' A' ' 123' ' ' LEU . 3.2 mp -60.84 -32.23 71.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.514 ' OD2' ' HB3' ' A' ' 126' ' ' ALA . 20.9 t70 -39.62 149.24 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.836 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -93.12 -38.14 11.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.514 ' HB3' ' OD2' ' A' ' 124' ' ' ASP . . . -47.25 -35.35 7.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.047 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.55 ' CG ' ' CZ ' ' A' ' 121' ' ' PHE . 60.8 m-80 -95.05 -45.07 7.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 71.7 47.58 32.76 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.461 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.54 ' CD2' ' CB ' ' A' ' 127' ' ' ASN . 4.0 mm? -68.09 -17.88 64.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.861 0.363 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.437 HD21 HD23 ' A' ' 135' ' ' LEU . 3.0 mt -134.41 95.52 16.23 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.576 0.703 . . . . 0.0 110.917 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -32.73 18.23 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.699 2.266 . . . . 0.0 112.321 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -128.6 28.23 5.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 20' ' ' ASN . 36.0 m-20 67.62 26.82 7.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -110.11 119.6 39.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.649 HD11 ' HG ' ' A' ' 137' ' ' LEU . 2.1 tm? -88.23 101.02 13.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.921 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 29.0 m -90.89 96.63 10.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.649 ' HG ' HD11 ' A' ' 135' ' ' LEU . 5.0 mt -94.34 110.63 22.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.936 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -94.17 116.82 29.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 51.4 t -114.55 150.55 34.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -136.01 117.66 14.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.559 ' HB ' ' CZ ' ' A' ' 12' ' ' PHE . 31.5 t -113.37 136.59 49.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.086 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 142' ' ' SER . . . . . 0.503 ' CB ' ' HG2' ' A' ' 11' ' ' LYS . 1.2 m -118.78 105.2 11.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.83 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 54.9 t -84.41 127.76 39.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 144' ' ' VAL . 9.4 m -77.73 118.93 25.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.109 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 47.8 mm-40 -104.32 -176.96 3.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -143.13 136.09 27.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 73.8 m -64.4 97.36 0.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 27.7 m -95.27 130.1 44.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.134 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -76.33 142.3 41.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 27.2 mm -72.76 120.39 21.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 48.0 t -87.5 -48.71 7.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 175.77 101.36 0.14 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.462 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -88.93 103.3 15.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 0.0 110.851 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.3 t -133.85 142.27 47.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 111.56 146.17 10.29 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.498 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 99.07 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.68 2.253 . . . . 0.0 112.317 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 54.1 p -120.62 143.13 48.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 62.5 m -39.03 101.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.466 -179.97 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.7 p -145.77 131.03 18.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.897 0.38 . . . . 0.0 110.835 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.1 t -62.52 -56.91 13.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.858 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.84 -126.78 2.72 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.497 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -55.61 174.6 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.868 0.366 . . . . 0.0 110.87 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.1 p -65.01 -56.35 13.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.55 138.14 0.5 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.508 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.0 tttp -65.63 157.42 29.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.809 0.337 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.6 p -139.96 149.65 22.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.145 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.471 ' HB ' ' NE2' ' A' ' 145' ' ' GLN . 56.4 t -112.78 107.69 23.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.22 153.75 35.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -142.24 143.98 33.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.556 ' HB2' ' CZ ' ' A' ' 138' ' ' PHE . 90.3 p -108.12 133.05 52.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.837 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -127.26 109.44 11.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.907 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.46 ' HG2' HG23 ' A' ' 136' ' ' THR . 31.7 ttm -85.47 118.46 25.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.486 ' CZ3' HG23 ' A' ' 51' ' ' VAL . 10.2 t90 -112.27 101.37 9.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.4 m -95.2 118.1 31.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.165 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.4 HD11 ' CZ2' ' A' ' 16' ' ' TRP . 31.4 mt -101.73 100.25 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -63.88 136.05 57.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.845 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 56.24 43.65 26.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -51.02 -16.84 0.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 84.0 p -86.56 14.19 7.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.656 ' CD1' ' C ' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -95.93 -37.5 10.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.842 -179.917 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.636 ' SG ' HD11 ' A' ' 32' ' ' ILE . 5.2 m -42.41 104.95 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.433 ' NH1' ' O ' ' A' ' 23' ' ' PHE . 0.6 OUTLIER -113.01 41.44 2.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.817 -179.818 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -79.5 160.11 26.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -82.31 156.28 24.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.0 ttm -42.03 132.82 3.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 105.17 -55.79 0.55 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.472 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -37.97 152.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.927 0.394 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.692 HG23 ' ND2' ' A' ' 52' ' ' ASN . 6.2 p -132.94 168.36 24.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.122 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.636 HD11 ' SG ' ' A' ' 24' ' ' CYS . 56.8 mt -117.73 103.59 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.104 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.5 mtmm -89.01 125.12 34.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 99.1 p -89.17 175.43 7.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.7 m -63.0 -175.27 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.826 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.401 HG22 HG11 ' A' ' 71' ' ' VAL . 31.7 p -107.38 128.75 54.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.148 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.414 ' CD1' ' N ' ' A' ' 37' ' ' PHE . 4.9 p90 -128.7 150.62 50.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 67.6 p -138.85 171.55 14.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.9 p -55.26 -54.64 40.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -113.5 -174.79 19.02 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.504 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.01 -65.0 0.78 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.765 0.316 . . . . 0.0 111.105 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -86.98 81.74 8.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -131.09 135.39 47.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.2 mmtt -73.53 -51.3 17.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.65 HD21 ' HZ2' ' A' ' 47' ' ' TRP . 13.8 tp -61.23 124.7 21.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.924 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 34.1 mmtm -122.41 165.79 15.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.65 ' HZ2' HD21 ' A' ' 45' ' ' LEU . 54.2 m95 -143.62 150.7 39.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.6 t -140.78 153.23 45.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 49' ' ' LEU . 34.4 mt -111.09 143.57 41.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.558 ' NH1' HG11 ' A' ' 31' ' ' VAL . 36.0 mtp85 -116.49 110.39 18.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.486 HG23 ' CZ3' ' A' ' 16' ' ' TRP . 55.7 t -106.42 136.4 41.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.692 ' ND2' HG23 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -130.17 102.49 17.26 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.648 0.737 . . . . 0.0 110.862 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.613 ' HA ' HD12 ' A' ' 64' ' ' LEU . 53.8 Cg_endo -69.78 -38.12 8.18 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.69 2.26 . . . . 0.0 112.318 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.5 ttmm -88.02 -8.7 55.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 73.45 157.38 4.4 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.494 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.3 mt -69.47 -52.61 24.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.796 0.332 . . . . 0.0 110.896 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -130.91 171.03 13.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.7 mp0 -53.66 -17.5 2.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.434 ' CG ' ' HD3' ' A' ' 114' ' ' LYS . 5.2 tp10 -63.64 -41.07 98.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.459 ' HB3' ' CG ' ' A' ' 114' ' ' LYS . 8.9 p -119.28 47.85 1.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.878 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.6 ptmm? -85.58 -37.27 19.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -78.25 -34.06 49.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.437 ' CE2' ' HG3' ' A' ' 118' ' ' ARG . 1.4 m-85 -102.56 166.82 10.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.613 HD12 ' HA ' ' A' ' 53' ' ' PRO . 4.7 tp -89.48 153.9 20.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.9 t -117.15 99.35 6.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 17.9 tp -105.16 120.01 40.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.939 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -130.59 145.54 51.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 51.7 tp -99.76 110.11 22.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.552 HD12 ' O ' ' A' ' 109' ' ' LYS . 6.1 tp -100.87 139.75 36.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.865 HD21 ' HB3' ' A' ' 73' ' ' CYS . 28.8 tp -88.34 86.01 6.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.948 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.566 HG13 ' H ' ' A' ' 72' ' ' SER . 0.2 OUTLIER -41.27 -63.98 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 179.902 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.566 ' H ' HG13 ' A' ' 71' ' ' VAL . 41.0 t -145.12 142.15 29.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.865 ' HB3' HD21 ' A' ' 70' ' ' LEU . 11.1 p -138.13 135.64 18.73 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.59 0.71 . . . . 0.0 110.904 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.443 ' CD ' ' HB2' ' A' ' 45' ' ' LEU . 53.4 Cg_endo -69.78 -44.0 2.31 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.673 2.249 . . . . 0.0 112.344 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.888 ' HE3' HG13 ' A' ' 78' ' ' VAL . 3.1 pttt -90.43 149.22 22.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 75' ' ' LYS . 3.3 m -34.86 -54.42 0.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.795 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -136.05 168.18 19.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.888 HG13 ' HE3' ' A' ' 75' ' ' LYS . 2.0 t -140.04 130.15 29.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.107 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.772 ' O ' HG22 ' A' ' 144' ' ' VAL . 9.9 mtt180 -107.98 108.63 19.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -144.29 160.69 40.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.097 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.547 ' HG3' ' HB2' ' A' ' 102' ' ' ALA . 26.4 mttp -106.93 128.27 54.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -110.15 153.74 24.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.912 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.411 ' C ' ' HD2' ' A' ' 83' ' ' LYS . 4.9 tmmm? -145.87 125.73 13.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -101.02 140.63 35.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.907 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.421 ' CB ' ' HB2' ' A' ' 96' ' ' ALA . 89.8 p -155.54 149.55 25.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.814 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.658 HD11 HG21 ' A' ' 117' ' ' ILE . 24.0 mt -109.73 134.51 51.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.0 mt -98.12 106.94 19.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 48.1 p30 -57.82 -175.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.61 -32.24 65.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.12 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -86.15 16.34 4.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 58.42 25.81 58.43 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.467 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -100.5 143.9 30.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.854 0.359 . . . . 0.0 110.891 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -64.98 133.66 52.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.975 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.3 t -153.92 147.9 25.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.483 ' HE2' ' CE2' ' A' ' 121' ' ' PHE . 33.9 mmtt 49.84 49.26 20.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.421 ' HB2' ' CB ' ' A' ' 85' ' ' SER . . . -102.68 153.54 20.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.074 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 16.8 mtm -125.9 129.13 48.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -98.84 166.9 11.08 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.4 t -112.92 155.89 23.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 14.0 mp0 -76.15 -65.3 0.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.943 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 42.4 mtm180 -131.36 169.71 15.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.547 ' HB2' ' HG3' ' A' ' 81' ' ' LYS . . . -72.23 153.45 41.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.095 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -117.76 162.97 17.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 19.9 ttm180 -79.3 124.73 28.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.728 ' HB3' HD22 ' A' ' 70' ' ' LEU . 39.3 m-85 -113.4 125.93 54.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.938 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.524 HG22 ' HB2' ' A' ' 109' ' ' LYS . 11.3 m -134.47 142.4 40.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.168 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 106' ' ' VAL . 9.7 tt0 -36.14 93.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 106' ' ' VAL . . . 112.97 21.29 6.03 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.528 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.552 ' O ' HD12 ' A' ' 69' ' ' LEU . 23.1 tptt -105.38 150.68 25.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.749 0.309 . . . . 0.0 110.932 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -140.65 120.29 13.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 82.1 m95 -130.2 128.56 41.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -179.25 -146.88 6.94 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.501 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -126.89 149.41 49.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.923 0.392 . . . . 0.0 110.896 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.459 ' CG ' ' HB3' ' A' ' 60' ' ' SER . 12.8 ttmt -79.22 -52.88 7.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 65.4 mttt -100.96 99.87 10.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.533 ' CD2' HG22 ' A' ' 117' ' ' ILE . 14.5 t80 -85.47 -57.43 3.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.658 HG21 HD11 ' A' ' 86' ' ' ILE . 1.1 tt -166.83 145.51 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.14 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.457 ' N ' HG13 ' A' ' 117' ' ' ILE . 16.8 mtm180 -54.68 120.25 6.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.499 ' NH1' HD11 ' A' ' 123' ' ' LEU . 7.2 ttt-85 -57.33 -32.35 66.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -66.62 -25.83 66.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.483 ' CE2' ' HE2' ' A' ' 95' ' ' LYS . 44.8 t80 -72.44 -34.95 68.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.531 HD11 HG12 ' A' ' 117' ' ' ILE . 7.1 mp -69.16 -59.29 3.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.966 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.517 ' HA ' HD12 ' A' ' 130' ' ' LEU . 7.8 mt -59.52 -19.74 50.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -53.59 160.99 1.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -102.7 -33.72 9.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -45.28 -41.17 8.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.054 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.464 ' CB ' HD13 ' A' ' 129' ' ' LEU . 16.1 m-80 -89.57 -42.36 11.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 78.9 15.83 80.02 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.466 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.464 HD13 ' CB ' ' A' ' 127' ' ' ASN . 0.7 OUTLIER -43.19 -25.49 0.12 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.824 0.345 . . . . 0.0 110.924 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.517 HD12 ' HA ' ' A' ' 123' ' ' LEU . 2.5 mt -126.43 82.07 66.8 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.608 0.718 . . . . 0.0 110.912 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -26.01 28.14 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.697 2.265 . . . . 0.0 112.343 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -124.13 25.21 7.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 62.95 30.19 16.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 8.7 ptpt -130.51 124.24 31.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 12.3 tp -91.13 123.04 34.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.46 HG23 ' HG2' ' A' ' 15' ' ' MET . 54.1 m -101.38 103.97 14.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.107 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 13.4 mt -94.65 112.97 24.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.94 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' PHE . . . . . 0.556 ' CZ ' ' HB2' ' A' ' 13' ' ' SER . 19.0 t80 -98.2 108.95 21.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 43.8 t -109.08 139.47 43.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -125.61 117.0 22.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 18.9 t -112.39 128.0 69.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.103 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 16.1 m -113.49 110.9 21.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 51.4 t -84.07 129.1 38.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.772 HG22 ' O ' ' A' ' 79' ' ' ARG . 22.6 m -88.52 100.45 10.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.139 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 145' ' ' GLN . . . . . 0.471 ' NE2' ' HB ' ' A' ' 10' ' ' VAL . 4.9 pt20 -120.72 139.55 52.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 146' ' ' ASP . . . . . 0.666 ' O ' HG13 ' A' ' 148' ' ' VAL . 6.0 m-20 -36.67 128.14 0.83 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 11.3 t -54.53 102.05 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.666 HG13 ' O ' ' A' ' 146' ' ' ASP . 25.1 m -118.52 158.34 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 57.2 m-20 -75.39 147.79 39.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 60.4 mt -70.42 126.75 31.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 37.8 t -81.92 -50.07 9.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 169.09 65.0 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.491 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -80.22 83.01 6.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.85 0.357 . . . . 0.0 110.92 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 30.7 t -93.87 -53.43 4.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 117.32 130.47 4.38 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.449 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 116.03 4.36 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.774 2.316 . . . . 0.0 112.35 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 80.8 p -69.81 121.98 18.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 9.8 t -87.59 105.38 17.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.477 -179.947 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 t -109.08 137.42 47.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.917 0.389 . . . . 0.0 110.843 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.4 t -124.43 108.63 12.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.893 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.42 41.53 0.17 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.538 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.1 m -80.27 124.62 28.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.868 0.366 . . . . 0.0 110.824 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 t -119.13 174.27 6.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.34 -142.75 7.65 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.472 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.6 tttt -78.18 149.34 33.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.831 0.348 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.8 p -130.71 131.47 64.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.127 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.411 ' HB ' ' NE2' ' A' ' 145' ' ' GLN . 83.4 t -100.55 106.34 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.112 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.418 ' HB3' ' CB ' ' A' ' 142' ' ' SER . 0.0 OUTLIER -122.3 160.06 26.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.907 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.561 ' CD1' ' HA ' ' A' ' 39' ' ' SER . 7.7 p90 -146.23 145.06 30.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.847 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.483 ' HB2' ' CE1' ' A' ' 138' ' ' PHE . 96.3 p -109.33 127.3 54.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.818 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -122.33 111.17 16.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.914 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 34.3 ttm -87.86 116.85 26.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.881 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.611 ' CE2' ' CG1' ' A' ' 18' ' ' ILE . 7.2 t90 -110.98 103.47 11.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 94.9 m -92.23 107.63 19.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.183 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.611 ' CG1' ' CE2' ' A' ' 16' ' ' TRP . 43.7 mt -90.87 98.11 7.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.122 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.494 ' O ' ' ND2' ' A' ' 20' ' ' ASN . 0.5 OUTLIER -63.16 146.29 53.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.924 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 19' ' ' ASN . 0.7 OUTLIER 46.66 50.37 13.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 53' ' ' PRO . 29.6 t80 -58.54 -20.48 46.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.424 ' HB2' ' CD2' ' A' ' 123' ' ' LEU . 27.2 t -83.27 -10.57 58.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.81 -179.744 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.457 ' CD1' ' HB2' ' A' ' 20' ' ' ASN . 6.9 m-85 -89.05 -24.51 22.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.436 ' C ' ' O ' ' A' ' 23' ' ' PHE . 17.2 p -34.52 129.79 0.39 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -105.35 41.47 1.36 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -72.92 145.74 46.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -103.09 169.42 8.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 5.7 tpt -58.3 106.84 0.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.875 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 116.76 -54.27 0.6 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.501 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -48.11 162.77 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.863 0.363 . . . . 0.0 110.929 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.591 HG23 ' CG ' ' A' ' 52' ' ' ASN . 10.2 p -140.93 153.02 20.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.158 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 92.3 mt -92.84 104.13 15.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.092 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.6 mtmt -87.31 129.87 34.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.454 ' HB3' ' CZ3' ' A' ' 16' ' ' TRP . 91.5 p -93.14 176.2 6.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.832 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.1 m -67.22 169.7 8.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 44.7 p -89.73 121.63 32.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.174 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -117.09 152.97 33.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 78.5 p -138.77 178.0 7.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.561 ' HA ' ' CD1' ' A' ' 12' ' ' PHE . 2.0 m -52.02 -42.59 63.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -167.75 -117.19 0.39 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.523 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -48.65 175.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.786 0.327 . . . . 0.0 111.111 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -49.6 94.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -101.86 142.62 32.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -60.05 -54.43 46.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.659 HD21 ' HZ2' ' A' ' 47' ' ' TRP . 16.3 tp -69.32 116.79 10.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.5 mmtp -114.33 163.97 14.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.659 ' HZ2' HD21 ' A' ' 45' ' ' LEU . 58.4 m95 -141.28 154.89 45.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 26.9 t -143.62 151.1 39.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.403 HD22 HD11 ' A' ' 66' ' ' LEU . 56.2 mt -107.64 136.19 47.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.508 ' HB3' HG21 ' A' ' 31' ' ' VAL . 55.5 mtp180 -111.01 105.81 14.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.548 HG13 HD11 ' A' ' 64' ' ' LEU . 55.3 t -106.7 134.19 49.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.163 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.591 ' CG ' HG23 ' A' ' 31' ' ' VAL . 1.2 m120 -126.65 101.98 26.38 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.632 0.729 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.569 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 53.9 Cg_endo -69.78 -33.59 16.24 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.7 2.266 . . . . 0.0 112.342 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.3 mttm -91.81 -14.54 29.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.82 161.87 21.06 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.527 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.0 mt -72.99 -51.63 17.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.814 0.34 . . . . 0.0 110.931 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -130.28 167.04 19.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -53.31 -16.53 1.35 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 54.7 tt0 -69.51 -44.95 70.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.8 t -118.72 40.81 3.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -90.56 -38.99 12.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.938 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -67.64 -34.19 76.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.587 ' CD2' ' HG2' ' A' ' 115' ' ' LYS . 14.3 m-85 -95.59 168.74 10.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.548 HD11 HG13 ' A' ' 51' ' ' VAL . 2.0 tm? -93.35 123.06 36.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 t -95.63 122.02 37.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.814 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.403 HD11 HD22 ' A' ' 49' ' ' LEU . 8.7 tp -129.55 114.08 15.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.537 ' CE2' ' O ' ' A' ' 113' ' ' PHE . 35.0 m-85 -125.51 140.15 53.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 29.6 tp -90.96 114.39 26.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.571 HD12 ' O ' ' A' ' 109' ' ' LYS . 6.1 tp -102.68 140.13 37.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.578 HD21 ' HB3' ' A' ' 73' ' ' CYS . 20.2 tp -88.41 86.32 7.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.944 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.543 HG13 ' H ' ' A' ' 72' ' ' SER . 0.2 OUTLIER -41.52 -63.42 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.861 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.543 ' H ' HG13 ' A' ' 71' ' ' VAL . 4.4 t -147.55 149.05 31.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.901 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.578 ' HB3' HD21 ' A' ' 70' ' ' LEU . 25.8 p -141.02 141.76 25.14 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.617 0.722 . . . . 0.0 110.93 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.473 ' CD ' ' HB2' ' A' ' 45' ' ' LEU . 54.1 Cg_endo -69.75 -37.13 9.62 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.681 2.254 . . . . 0.0 112.379 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 12.7 pttm -107.08 153.9 21.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 33.0 m -39.92 -71.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.856 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -113.58 153.45 28.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.7 p -144.87 135.4 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.763 ' O ' HG22 ' A' ' 144' ' ' VAL . 35.9 mtp180 -102.44 133.94 46.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -160.32 152.15 20.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.092 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.616 ' HG3' ' HB2' ' A' ' 102' ' ' ALA . 63.2 mttt -101.84 131.17 48.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.431 ' CZ ' ' HA2' ' A' ' 112' ' ' GLY . 52.9 p90 -113.75 148.99 35.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.42 ' CG ' ' HG2' ' A' ' 98' ' ' GLU . 1.0 OUTLIER -142.33 118.15 10.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.87 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -98.02 143.68 28.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.838 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 80.8 p -156.27 162.6 40.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.508 HD11 ' CE2' ' A' ' 116' ' ' PHE . 26.6 mt -123.06 130.71 74.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.145 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.3 mt -94.44 110.28 22.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.456 ' OD1' ' N ' ' A' ' 90' ' ' LYS . 28.8 p30 -61.21 -176.86 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -54.75 -30.67 57.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.123 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.456 ' N ' ' OD1' ' A' ' 88' ' ' ASN . 1.7 mppt? -90.1 19.25 5.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 57.05 27.49 57.28 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -101.08 137.25 39.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.833 0.349 . . . . 0.0 110.916 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -62.93 134.24 55.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 8.8 t -152.86 147.72 26.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.147 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.422 ' HE2' ' CE2' ' A' ' 121' ' ' PHE . 30.4 mmtm 50.83 52.44 14.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.869 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -101.01 160.41 14.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.09 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.537 ' SD ' ' CG ' ' A' ' 113' ' ' PHE . 5.8 ptp -129.45 140.79 51.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.957 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.42 ' HG2' ' CG ' ' A' ' 83' ' ' LYS . 20.8 mt-10 -119.38 149.13 42.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.91 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.6 t -94.19 153.57 18.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -78.6 -56.76 4.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.884 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 21.4 tpt180 -138.66 137.82 37.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.884 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.616 ' HB2' ' HG3' ' A' ' 81' ' ' LYS . . . -47.74 146.19 2.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.065 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -106.35 166.63 10.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 31.0 ttp180 -81.45 100.38 9.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -90.41 137.74 32.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.574 HG22 ' HB2' ' A' ' 109' ' ' LYS . 11.9 m -142.22 157.46 19.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.156 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -46.94 106.27 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 92.41 25.93 19.67 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.476 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.574 ' HB2' HG22 ' A' ' 106' ' ' VAL . 17.7 tptt -102.67 151.24 22.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.815 0.34 . . . . 0.0 110.92 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -133.73 125.0 27.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 82.0 m95 -141.49 131.45 24.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.431 ' HA2' ' CZ ' ' A' ' 82' ' ' PHE . . . 173.83 -141.09 5.83 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.46 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.537 ' O ' ' CE2' ' A' ' 67' ' ' TYR . 2.3 m-85 -121.17 162.21 20.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.898 0.38 . . . . 0.0 110.898 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 50.9 tttt -93.61 -49.65 5.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.587 ' HG2' ' CD2' ' A' ' 63' ' ' TYR . 7.4 mptt -111.52 96.3 6.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.508 ' CE2' HD11 ' A' ' 86' ' ' ILE . 12.0 t80 -78.34 -49.93 12.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.787 HD11 ' CD2' ' A' ' 121' ' ' PHE . 3.9 tt -174.08 145.37 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.151 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.595 ' O ' HD12 ' A' ' 122' ' ' LEU . 44.8 mtt180 -51.81 131.09 30.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.848 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.42 ' HA ' HD13 ' A' ' 122' ' ' LEU . 23.8 ttp180 -61.87 -32.24 72.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.99 -32.32 69.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.852 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.787 ' CD2' HD11 ' A' ' 117' ' ' ILE . 54.2 t80 -65.37 -19.68 66.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.673 HD11 HG23 ' A' ' 117' ' ' ILE . 5.7 mp -85.51 -56.13 3.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.424 ' CD2' ' HB2' ' A' ' 22' ' ' SER . 4.7 mt -65.18 -23.96 67.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -54.39 155.96 3.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -91.62 -38.46 12.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -40.59 -46.12 2.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.102 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.593 ' OD1' ' CZ ' ' A' ' 121' ' ' PHE . 20.5 m-80 -81.99 -44.74 16.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 72.6 34.21 60.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.496 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.637 HD12 ' HA ' ' A' ' 122' ' ' LEU . 56.5 mt -68.86 -22.86 64.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.881 0.372 . . . . 0.0 110.946 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.439 HD23 ' O ' ' A' ' 129' ' ' LEU . 3.3 mt -129.33 79.56 73.88 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.648 0.737 . . . . 0.0 110.936 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -18.39 37.24 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.692 2.261 . . . . 0.0 112.354 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -129.18 27.07 5.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 59.5 28.58 18.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -125.62 127.73 46.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 29.7 tp -93.54 119.54 32.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 41.9 m -98.88 98.66 9.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.085 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.426 ' CD1' HG21 ' A' ' 51' ' ' VAL . 11.0 mt -91.47 111.57 23.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' PHE . . . . . 0.483 ' CE1' ' HB2' ' A' ' 13' ' ' SER . 7.3 t80 -99.69 102.29 13.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 36.9 t -106.71 147.83 29.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.886 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -132.04 115.53 15.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 59.2 t -104.59 130.15 55.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.118 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' SER . . . . . 0.418 ' CB ' ' HB3' ' A' ' 11' ' ' LYS . 13.8 m -120.82 114.58 21.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 64.0 t -86.24 125.19 40.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.13 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.763 HG22 ' O ' ' A' ' 79' ' ' ARG . 19.6 m -82.19 101.44 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.135 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 145' ' ' GLN . . . . . 0.411 ' NE2' ' HB ' ' A' ' 10' ' ' VAL . 5.4 pt20 -128.64 122.08 30.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -43.42 -69.53 0.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 25.3 t -170.3 108.15 0.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 10.5 m -143.46 146.9 20.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -174.62 143.6 0.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 27.2 mm -93.61 102.02 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 28.9 t -55.49 128.72 35.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 75.12 68.26 1.58 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.469 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 11.4 tp60 -56.14 131.16 46.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.879 0.371 . . . . 0.0 110.878 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 15.2 m -97.71 98.54 9.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 166.45 -133.94 3.11 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.447 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 96.68 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.687 2.258 . . . . 0.0 112.392 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 51.4 p -149.95 149.42 30.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.84 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 39.4 m -79.61 154.65 28.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.493 -179.999 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.0 t -65.9 101.58 0.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.908 0.385 . . . . 0.0 110.887 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.1 t -109.04 88.51 2.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.834 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.07 -177.2 25.52 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.476 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.0 t -150.0 122.26 8.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.828 0.347 . . . . 0.0 110.911 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.7 m -120.58 108.37 13.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.12 -98.28 2.39 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.454 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.7 tttt -83.33 158.64 22.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.845 0.355 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.9 p -138.26 132.82 42.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.401 ' HB ' ' NE2' ' A' ' 145' ' ' GLN . 86.5 t -102.59 107.91 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.1 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.22 158.19 28.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.437 ' CD2' ' HB3' ' A' ' 39' ' ' SER . 17.2 p90 -144.36 147.56 33.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.859 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.458 ' HB2' ' CE1' ' A' ' 138' ' ' PHE . 81.7 p -107.79 130.13 55.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -125.78 110.6 13.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.94 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 34.3 ttm -87.7 114.03 23.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.875 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.518 ' HZ3' HG23 ' A' ' 51' ' ' VAL . 8.2 t90 -110.02 98.6 7.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 98.6 m -87.49 122.83 31.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.411 HD11 ' CZ2' ' A' ' 16' ' ' TRP . 39.7 mt -101.14 101.93 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.177 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.03 132.45 45.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.484 ' OD1' ' N ' ' A' ' 20' ' ' ASN . 0.5 OUTLIER 69.21 51.16 0.53 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.504 ' CZ ' ' HB3' ' A' ' 53' ' ' PRO . 90.7 t80 -66.58 -46.17 76.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.8 p -67.58 -7.26 24.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.836 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.468 ' O ' ' C ' ' A' ' 24' ' ' CYS . 5.5 m-85 -89.24 -22.52 22.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.468 ' C ' ' O ' ' A' ' 23' ' ' PHE . 22.3 p -33.01 133.15 0.14 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -105.18 41.79 1.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -72.37 126.86 30.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 28' ' ' MET . 13.1 pt-20 -87.03 -53.68 4.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.939 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.45 ' N ' ' HG3' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -175.17 127.25 0.27 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.84 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 30' ' ' GLU . . . 80.25 -39.49 2.29 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 29' ' ' GLY . 22.8 mt-10 -34.41 139.4 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.946 0.403 . . . . 0.0 110.848 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.625 HG23 ' ND2' ' A' ' 52' ' ' ASN . 9.9 p -124.05 153.89 30.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.137 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.608 HD12 ' HD3' ' A' ' 53' ' ' PRO . 35.7 mt -108.41 102.82 14.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.11 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 55.3 mttt -84.99 134.87 34.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.416 ' HB3' ' CZ3' ' A' ' 16' ' ' TRP . 84.9 p -97.33 172.14 7.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.86 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 m -67.89 168.79 10.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 76.5 p -86.83 120.65 28.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -119.34 149.64 41.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 39' ' ' SER . 17.7 p -140.07 155.49 47.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.843 -179.772 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.437 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 62.7 p -35.12 -46.83 0.35 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -169.44 -143.48 3.89 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.49 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.88 155.06 21.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.813 0.34 . . . . 0.0 111.096 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 64.47 38.64 7.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -116.09 107.62 15.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -68.2 -37.28 80.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.712 HD22 ' NE1' ' A' ' 47' ' ' TRP . 2.6 tt -71.43 129.11 37.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.902 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.464 ' N ' HD23 ' A' ' 45' ' ' LEU . 39.1 mmtm -122.72 160.6 25.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.712 ' NE1' HD22 ' A' ' 45' ' ' LEU . 57.5 m95 -137.73 152.6 49.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 34.7 t -137.47 147.62 45.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.449 HD11 ' CB ' ' A' ' 139' ' ' CYS . 18.9 mt -113.98 125.07 53.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.499 ' CZ ' ' HB2' ' A' ' 69' ' ' LEU . 15.8 mtm180 -103.26 116.38 32.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.632 HG22 HD13 ' A' ' 66' ' ' LEU . 74.8 t -112.45 135.34 52.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.093 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.679 ' O ' HD22 ' A' ' 64' ' ' LEU . 1.4 m120 -129.94 101.54 18.18 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.646 0.736 . . . . 0.0 110.887 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.608 ' HD3' HD12 ' A' ' 32' ' ' ILE . 54.1 Cg_endo -69.67 -8.17 22.92 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.69 2.26 . . . . 0.0 112.384 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.8 tttp -121.92 6.19 9.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 72.7 -178.74 38.89 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.51 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 54.2 mt -95.8 -35.17 11.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.843 0.354 . . . . 0.0 110.952 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -135.54 171.44 14.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -58.75 -22.87 58.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.404 ' HG2' ' NZ ' ' A' ' 114' ' ' LYS . 12.4 tt0 -65.72 -62.74 1.34 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 28.1 t -100.48 40.78 1.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -84.4 -29.68 25.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.862 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -75.81 -26.7 57.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -99.02 170.23 8.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.679 HD22 ' O ' ' A' ' 52' ' ' ASN . 2.3 tm? -92.87 126.59 38.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.951 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.576 ' N ' HD13 ' A' ' 64' ' ' LEU . 3.7 t -103.08 108.01 19.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.632 HD13 HG22 ' A' ' 51' ' ' VAL . 27.1 tp -119.39 125.8 49.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.456 ' CE2' ' O ' ' A' ' 113' ' ' PHE . 47.0 m-85 -130.71 163.51 27.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.928 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.477 ' CD2' ' HB3' ' A' ' 82' ' ' PHE . 66.9 tp -116.63 99.51 7.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.499 ' HB2' ' CZ ' ' A' ' 50' ' ' ARG . 5.6 tp -91.18 136.35 33.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.687 HD23 ' C ' ' A' ' 106' ' ' VAL . 50.3 tp -83.79 83.2 8.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.552 HG13 ' H ' ' A' ' 72' ' ' SER . 0.2 OUTLIER -36.87 -64.29 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 179.831 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.552 ' H ' HG13 ' A' ' 71' ' ' VAL . 9.9 t -146.31 159.56 43.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.495 ' HB3' HD21 ' A' ' 70' ' ' LEU . 12.1 p -154.52 139.38 11.78 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.605 0.716 . . . . 0.0 110.896 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -51.27 0.4 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.711 2.274 . . . . 0.0 112.303 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.8 ptpt -79.91 152.12 29.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.3 m -46.07 -52.45 11.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -134.91 153.56 52.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.4 p -145.61 141.58 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.137 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.833 ' O ' HG22 ' A' ' 144' ' ' VAL . 42.1 mtp180 -113.4 135.87 53.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -159.88 156.9 28.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.076 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.439 ' HG3' ' HB2' ' A' ' 102' ' ' ALA . 77.4 mttt -102.22 128.85 48.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.477 ' HB3' ' CD2' ' A' ' 68' ' ' LEU . 51.6 p90 -108.79 141.38 40.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.539 ' HZ2' ' HB3' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -135.09 134.71 40.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.915 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -113.91 146.58 39.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.874 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 75.1 p -161.1 153.67 20.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.862 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 50.7 mt -116.41 132.83 64.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.147 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.3 mt -96.85 112.71 24.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.469 ' OD1' ' N ' ' A' ' 90' ' ' LYS . 23.2 p30 -62.18 -176.62 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.59 -32.03 64.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.081 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.469 ' N ' ' OD1' ' A' ' 88' ' ' ASN . 6.8 mptt -88.1 18.57 4.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.858 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 55.1 31.79 56.37 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.495 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -107.49 135.32 49.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.826 0.345 . . . . 0.0 110.889 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -53.95 137.5 39.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.403 HG21 HD11 ' A' ' 129' ' ' LEU . 9.9 t -161.03 143.84 12.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.562 ' HB3' HD12 ' A' ' 117' ' ' ILE . 28.3 mmtt 51.49 49.38 21.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -101.65 163.51 12.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.104 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.481 ' CE ' ' CD2' ' A' ' 113' ' ' PHE . 12.9 mtm -138.59 116.76 11.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.514 ' HB3' ' CG ' ' A' ' 83' ' ' LYS . 3.0 pt-20 -129.41 149.86 51.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 37.3 t -129.52 161.01 31.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -107.11 51.0 0.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.947 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 24.9 mtt180 -160.98 137.54 8.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.439 ' HB2' ' HG3' ' A' ' 81' ' ' LYS . . . -96.75 152.17 18.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -113.43 157.44 21.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.7 ttm105 -76.66 99.67 5.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.512 ' HB3' HD22 ' A' ' 70' ' ' LEU . 22.9 m-85 -89.63 141.84 28.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.687 ' C ' HD23 ' A' ' 70' ' ' LEU . 20.0 m -151.94 159.83 3.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.115 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -47.9 98.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 99.43 23.47 11.11 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.489 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.608 ' HB2' HG22 ' A' ' 106' ' ' VAL . 18.4 tptt -98.85 144.11 28.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.808 0.337 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -127.24 126.08 42.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 45.2 m95 -144.48 122.57 12.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.412 ' HA2' ' CE1' ' A' ' 82' ' ' PHE . . . 179.1 -152.16 10.91 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.526 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.481 ' CD2' ' CE ' ' A' ' 97' ' ' MET . 21.8 m-85 -119.33 156.41 30.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.916 0.388 . . . . 0.0 110.876 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.404 ' NZ ' ' HG2' ' A' ' 59' ' ' GLU . 12.1 tttm -88.83 -54.65 4.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 49.8 mttt -102.57 98.33 8.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -83.59 -57.34 3.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.582 ' CG2' HD21 ' A' ' 122' ' ' LEU . 4.8 tt -161.79 149.59 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -62.28 113.11 2.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 7.5 ttp180 -44.23 -44.63 8.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -49.04 -43.74 40.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.617 ' CE1' ' ND2' ' A' ' 127' ' ' ASN . 72.9 t80 -58.29 -43.04 87.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.582 HD21 ' CG2' ' A' ' 117' ' ' ILE . 13.4 mt -54.88 -63.3 1.2 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.89 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.515 ' N ' HD12 ' A' ' 123' ' ' LEU . 3.3 mp -62.37 -33.34 74.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 123' ' ' LEU . 9.6 t0 -34.37 141.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -84.69 -33.64 23.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -50.01 -37.98 35.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.095 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.617 ' ND2' ' CE1' ' A' ' 121' ' ' PHE . 35.7 m-80 -93.97 -44.75 7.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.86 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 71.81 43.78 49.6 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.518 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.489 ' CD2' ' HB2' ' A' ' 127' ' ' ASN . 3.5 mm? -63.39 -20.94 65.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.812 0.339 . . . . 0.0 110.863 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.3 mt -128.04 85.42 60.62 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.632 0.73 . . . . 0.0 110.943 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -30.27 22.55 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.686 2.257 . . . . 0.0 112.338 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -120.38 26.45 9.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 63.34 26.0 14.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -124.79 126.57 45.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 46.7 tp -89.15 104.47 17.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.959 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 58.3 m -82.66 99.38 9.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.143 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.411 ' CD1' HG21 ' A' ' 51' ' ' VAL . 7.4 mt -95.42 117.57 30.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' PHE . . . . . 0.458 ' CE1' ' HB2' ' A' ' 13' ' ' SER . 6.8 t80 -102.71 110.6 22.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 139' ' ' CYS . . . . . 0.449 ' CB ' HD11 ' A' ' 49' ' ' LEU . 18.7 t -112.91 141.96 46.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -126.41 112.86 16.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 59.1 t -103.25 128.71 56.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 16.1 m -118.35 112.17 19.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 59.0 t -84.16 132.27 31.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.833 HG22 ' O ' ' A' ' 79' ' ' ARG . 19.8 m -91.12 99.54 9.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.082 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 145' ' ' GLN . . . . . 0.401 ' NE2' ' HB ' ' A' ' 10' ' ' VAL . 4.7 pt20 -125.61 146.54 49.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 146' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 147' ' ' SER . 1.1 m-20 -79.83 44.25 0.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 147' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 146' ' ' ASP . 2.7 t 34.73 41.63 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.76 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 36.0 m -62.15 150.52 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.107 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -54.09 -47.46 71.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 87.9 mt -38.2 -53.33 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.168 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 51.7 p -85.49 150.98 24.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 171.39 133.78 1.68 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.516 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -70.48 145.68 50.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.816 0.341 . . . . 0.0 110.935 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 49.2 m -142.56 175.14 10.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -166.27 142.78 7.88 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.53 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 0.99 4.88 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.665 2.243 . . . . 0.0 112.342 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 24.9 p 45.95 41.62 8.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 36.6 p -50.98 155.9 1.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.841 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.514 -179.958 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m 46.25 47.32 13.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.836 0.35 . . . . 0.0 110.862 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.1 m -76.41 116.86 17.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.49 119.69 6.56 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.471 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -95.39 -45.84 6.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.881 0.372 . . . . 0.0 110.863 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -138.4 124.06 19.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.812 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.89 104.34 1.2 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.484 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 41.8 tttm -68.49 156.28 38.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.795 0.331 . . . . 0.0 110.92 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.2 p -134.0 135.93 54.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 85.5 t -103.73 103.07 14.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.134 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.462 ' CB ' ' HA ' ' A' ' 142' ' ' SER . 0.0 OUTLIER -115.31 170.0 8.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.916 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.516 ' CG ' ' HA ' ' A' ' 39' ' ' SER . 6.8 p90 -159.51 151.7 20.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 98.2 p -113.17 153.14 28.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.866 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -147.16 109.83 4.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.922 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.5 ' HE3' HD12 ' A' ' 87' ' ' LEU . 0.2 OUTLIER -84.62 126.49 33.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.544 ' NE1' ' CG1' ' A' ' 18' ' ' ILE . 6.0 t90 -121.33 100.21 6.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.933 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 59.5 m -93.15 100.37 12.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.141 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.544 ' CG1' ' NE1' ' A' ' 16' ' ' TRP . 70.6 mt -78.32 100.34 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.143 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -67.61 131.82 46.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.484 ' OD1' ' N ' ' A' ' 20' ' ' ASN . 0.3 OUTLIER 69.04 50.82 0.56 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.418 ' CZ ' ' HB3' ' A' ' 53' ' ' PRO . 64.8 t80 -61.94 -53.56 54.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.3 t -57.91 -16.51 12.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.437 ' O ' ' C ' ' A' ' 24' ' ' CYS . 5.6 m-85 -85.02 -22.93 28.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.849 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.437 ' C ' ' O ' ' A' ' 23' ' ' PHE . 19.8 p -34.24 121.84 0.48 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.2 tpt85 -117.97 50.07 1.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.476 ' HG3' ' CB ' ' A' ' 30' ' ' GLU . 3.6 tp10 -97.0 130.56 44.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -68.97 166.36 18.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.2 ttm -55.53 152.6 8.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.11 -58.44 5.0 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.536 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.476 ' CB ' ' HG3' ' A' ' 26' ' ' GLU . 0.6 OUTLIER -42.3 159.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.847 0.356 . . . . 0.0 110.885 -179.897 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.66 HG23 ' ND2' ' A' ' 52' ' ' ASN . 7.3 p -139.54 149.26 22.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.103 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.0 mt -96.4 98.6 7.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.095 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.0 mtmt -93.12 123.24 36.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 81.0 p -82.7 175.34 10.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.853 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.9 m -65.55 167.7 8.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.851 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.9 p -83.8 120.73 26.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.165 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 10.8 p90 -112.33 166.96 10.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.1 p -139.91 -176.03 4.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.516 ' HA ' ' CG ' ' A' ' 12' ' ' PHE . 13.6 t -66.68 -48.31 69.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -169.65 -71.62 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.528 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.92 166.75 20.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.816 0.341 . . . . 0.0 111.103 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -51.76 91.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.966 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -100.85 135.8 41.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.842 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 46.1 mmtt -57.72 -54.01 51.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.635 HD22 ' NE1' ' A' ' 47' ' ' TRP . 3.2 tt -59.65 126.86 29.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.926 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.552 ' N ' HD23 ' A' ' 45' ' ' LEU . 56.9 mmtt -116.04 155.77 27.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.635 ' NE1' HD22 ' A' ' 45' ' ' LEU . 70.6 m95 -132.41 152.32 51.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.884 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.403 ' SG ' HD23 ' A' ' 69' ' ' LEU . 19.8 p -141.37 142.53 33.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.889 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 49' ' ' LEU . 13.0 mt -103.1 132.71 49.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 21.6 mtt180 -109.91 102.17 10.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.663 HG22 HD12 ' A' ' 66' ' ' LEU . 60.2 t -106.34 134.76 46.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.66 ' ND2' HG23 ' A' ' 31' ' ' VAL . 4.8 m-80 -134.8 100.77 11.96 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.624 0.726 . . . . 0.0 110.905 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.842 ' HA ' HD22 ' A' ' 64' ' ' LEU . 54.5 Cg_endo -69.79 -43.47 2.62 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.649 2.232 . . . . 0.0 112.362 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.1 mttp -78.46 9.95 3.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.923 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 58.14 -173.87 2.82 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 22.5 mt -103.38 -49.93 3.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.833 0.349 . . . . 0.0 110.945 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.87 167.2 11.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -60.2 -10.34 4.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -78.1 -42.13 32.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.0 m -118.52 36.61 4.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.876 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.456 ' CG ' ' N ' ' A' ' 62' ' ' ASP . 2.9 ptmm? -77.74 -48.59 16.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.456 ' N ' ' CG ' ' A' ' 61' ' ' LYS . 32.4 m-20 -68.85 -19.48 64.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -98.55 159.57 14.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.842 HD22 ' HA ' ' A' ' 53' ' ' PRO . 0.1 OUTLIER -88.66 123.28 32.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.963 179.916 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.57 ' N ' HD13 ' A' ' 64' ' ' LEU . 17.7 t -104.26 117.04 33.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.663 HD12 HG22 ' A' ' 51' ' ' VAL . 8.9 tt -128.42 140.12 52.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.966 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.509 ' CE1' ' O ' ' A' ' 113' ' ' PHE . 59.8 m-85 -143.9 150.75 38.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.586 HD23 ' CZ ' ' A' ' 105' ' ' PHE . 50.0 tp -99.82 111.93 24.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.894 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.763 HD12 ' O ' ' A' ' 109' ' ' LYS . 8.6 tp -105.01 143.24 33.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.874 HD21 ' HB3' ' A' ' 73' ' ' CYS . 51.7 tp -91.78 82.48 5.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.582 HG13 ' H ' ' A' ' 72' ' ' SER . 1.3 p -34.12 -57.2 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.121 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.582 ' H ' HG13 ' A' ' 71' ' ' VAL . 20.1 m -155.58 152.59 28.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.835 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.874 ' HB3' HD21 ' A' ' 70' ' ' LEU . 30.5 p -141.19 144.75 35.79 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.634 0.73 . . . . 0.0 110.864 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -50.72 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.649 2.233 . . . . 0.0 112.322 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.9 pttm -92.26 167.5 11.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.93 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 t -45.01 -64.34 0.73 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -128.61 166.22 19.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.7 p -150.05 140.05 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.17 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.746 ' O ' HG22 ' A' ' 144' ' ' VAL . 18.6 mtp85 -105.18 133.14 50.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -161.39 156.1 23.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.082 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.615 ' HG3' ' HB2' ' A' ' 102' ' ' ALA . 25.2 mttp -102.2 143.18 32.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.535 ' HB3' HD22 ' A' ' 68' ' ' LEU . 24.2 p90 -122.3 146.07 47.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.469 ' CG ' ' HG2' ' A' ' 98' ' ' GLU . 3.2 tmmm? -139.81 114.91 9.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -98.27 137.86 36.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.501 ' CB ' ' HB2' ' A' ' 96' ' ' ALA . 93.2 p -152.91 164.53 37.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.616 HD11 HG21 ' A' ' 117' ' ' ILE . 36.1 mt -123.31 128.68 74.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.116 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.5 HD12 ' HE3' ' A' ' 15' ' ' MET . 7.7 mt -91.35 114.57 27.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.459 ' OD1' ' N ' ' A' ' 90' ' ' LYS . 25.9 p30 -61.94 178.1 0.39 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.676 ' HB2' ' O ' ' A' ' 128' ' ' GLY . . . -52.13 -30.18 25.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.102 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.459 ' N ' ' OD1' ' A' ' 88' ' ' ASN . 0.5 OUTLIER -89.71 19.22 4.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.76 32.23 61.63 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -106.59 137.51 44.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.854 0.359 . . . . 0.0 110.879 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -61.98 131.6 50.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.2 t -155.1 146.49 22.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.137 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 40.1 mmtt 54.27 51.71 13.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.501 ' HB2' ' CB ' ' A' ' 85' ' ' SER . . . -102.47 157.65 16.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.085 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.405 ' HE3' ' CD1' ' A' ' 113' ' ' PHE . 16.3 mtm -132.52 124.82 29.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.469 ' HG2' ' CG ' ' A' ' 83' ' ' LYS . 37.4 mt-10 -99.2 159.62 14.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 8.3 t -100.99 146.73 27.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -62.21 -60.28 3.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.432 ' O ' ' CD1' ' A' ' 103' ' ' TYR . 11.1 ttm180 -144.49 145.88 32.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.823 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.615 ' HB2' ' HG3' ' A' ' 81' ' ' LYS . . . -42.08 159.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.085 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.432 ' CD1' ' O ' ' A' ' 101' ' ' ARG . 8.9 m-85 -124.61 161.22 26.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 20.7 ttm180 -75.52 98.81 4.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.586 ' CZ ' HD23 ' A' ' 68' ' ' LEU . 20.7 m-85 -90.54 131.92 36.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.536 HG22 ' HB2' ' A' ' 109' ' ' LYS . 10.9 m -140.02 158.13 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.154 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -47.65 104.24 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 95.97 25.27 13.23 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.504 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.763 ' O ' HD12 ' A' ' 69' ' ' LEU . 15.6 tptt -101.6 146.03 28.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.759 0.314 . . . . 0.0 110.947 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.8 p-10 -132.6 122.41 24.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 76.0 m95 -134.46 125.47 27.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 177.08 -159.5 25.91 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.462 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.509 ' O ' ' CE1' ' A' ' 67' ' ' TYR . 56.6 m-85 -115.37 163.32 15.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.925 0.393 . . . . 0.0 110.916 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 28.6 tttp -90.99 -51.11 5.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 30.8 mttt -101.62 89.26 3.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.411 ' HB3' ' O ' ' A' ' 64' ' ' LEU . 9.6 t80 -75.48 -47.3 27.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.616 HG21 HD11 ' A' ' 86' ' ' ILE . 4.0 tt -173.61 145.58 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.101 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 31.4 mtt180 -61.65 108.42 0.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.451 ' HD2' ' CA ' ' A' ' 53' ' ' PRO . 31.2 mtp180 -45.5 -43.63 11.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -46.99 -40.11 13.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.806 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.667 ' CD2' HD11 ' A' ' 129' ' ' LEU . 47.1 t80 -63.88 -35.85 81.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.884 ' HA ' HD12 ' A' ' 129' ' ' LEU . 8.6 mp -69.63 -58.42 3.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.956 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.455 ' N ' HD12 ' A' ' 123' ' ' LEU . 6.7 mp -55.94 -15.55 3.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -75.68 122.38 23.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -70.72 -33.52 70.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -46.65 -31.67 3.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.13 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.593 ' OD1' ' CE1' ' A' ' 121' ' ' PHE . 50.1 m-80 -86.17 -37.91 18.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.676 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . 92.82 -9.47 75.47 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.465 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.884 HD12 ' HA ' ' A' ' 122' ' ' LEU . 42.9 mt -40.87 -32.8 0.25 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.824 0.345 . . . . 0.0 110.886 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.737 HD23 ' O ' ' A' ' 129' ' ' LEU . 11.6 mt -134.37 88.5 29.84 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.603 0.716 . . . . 0.0 110.907 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -34.42 14.7 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.696 2.264 . . . . 0.0 112.37 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -125.13 22.64 7.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 70.45 41.57 0.97 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.514 ' O ' HD22 ' A' ' 130' ' ' LEU . 4.4 mtpt -121.79 130.75 53.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.595 HD21 HD23 ' A' ' 122' ' ' LEU . 1.3 tm? -94.64 94.03 7.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 22.5 m -87.7 98.62 11.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.573 HD12 HD12 ' A' ' 135' ' ' LEU . 1.2 mt -97.04 120.02 36.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -102.84 101.81 11.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.833 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 51.1 t -105.05 153.7 21.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -139.25 113.79 9.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 50.1 t -102.0 127.1 55.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.11 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' SER . . . . . 0.462 ' HA ' ' CB ' ' A' ' 11' ' ' LYS . 14.8 m -112.17 108.19 17.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 35.8 t -87.44 126.13 41.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.746 HG22 ' O ' ' A' ' 79' ' ' ARG . 16.6 m -79.62 112.07 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.105 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -118.41 147.06 43.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -118.16 -68.34 0.92 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' SER . . . . . 0.513 ' O ' HG13 ' A' ' 148' ' ' VAL . 23.4 p -126.13 64.44 1.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.891 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.513 HG13 ' O ' ' A' ' 147' ' ' SER . 27.4 m -160.38 140.92 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.111 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 149' ' ' ASN . . . . . 0.587 ' OD1' HD12 ' A' ' 150' ' ' ILE . 29.5 t30 -147.83 179.5 7.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 150' ' ' ILE . . . . . 0.776 HD12 ' H ' ' A' ' 150' ' ' ILE . 5.0 mp -55.02 130.83 17.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 15.2 t -161.62 172.19 16.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . -173.06 147.51 9.73 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.48 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -69.25 113.94 7.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.82 0.343 . . . . 0.0 110.944 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.9 t -86.95 167.02 14.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.902 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 146.96 171.77 16.53 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 2.25 3.72 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.706 2.271 . . . . 0.0 112.318 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 22.8 t -119.28 170.08 9.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.837 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 47.4 t -39.99 139.36 0.69 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.493 -179.988 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.408 ' O ' HG13 ' A' ' 9' ' ' VAL . 7.1 p . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.867 0.365 . . . . 0.0 111.101 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 78.8 t -89.68 108.45 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.94 155.82 29.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -158.18 140.01 13.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.573 ' HB2' ' CZ ' ' A' ' 138' ' ' PHE . 81.3 p -108.31 151.14 26.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.807 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.447 ' CB ' ' CD2' ' A' ' 37' ' ' PHE . 9.7 t80 -141.36 117.03 10.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.937 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.492 ' HG2' HG23 ' A' ' 136' ' ' THR . 30.9 ttm -84.74 122.25 28.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.557 ' CZ2' HD11 ' A' ' 18' ' ' ILE . 10.1 t90 -117.89 102.92 9.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 38.6 m -95.92 109.94 22.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.101 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.557 HD11 ' CZ2' ' A' ' 16' ' ' TRP . 33.9 mt -90.62 98.85 8.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.64 128.3 35.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 73.14 49.54 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.923 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -62.38 -29.41 70.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.5 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 -179.826 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.878 0.371 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.825 HG21 ' HB3' ' A' ' 50' ' ' ARG . 9.5 p -134.09 151.12 31.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.144 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 46.2 mt -104.41 112.02 36.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.166 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 38.6 mttt -96.42 126.18 41.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 84.5 p -90.47 163.2 14.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.0 m -51.61 173.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.807 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 48.6 p -90.46 130.85 36.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.155 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.447 ' CD2' ' CB ' ' A' ' 14' ' ' TYR . 2.5 p90 -123.04 145.4 48.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.5 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.79 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.864 0.364 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.1 tp -80.39 109.98 15.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 43.7 mmtt -108.61 167.54 9.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 55.9 m95 -145.1 153.89 41.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.482 ' SG ' HD23 ' A' ' 69' ' ' LEU . 5.3 p -142.9 156.75 44.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.431 HD21 ' SG ' ' A' ' 139' ' ' CYS . 80.0 mt -116.98 133.87 55.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.825 ' HB3' HG21 ' A' ' 31' ' ' VAL . 30.3 mtp180 -111.77 102.84 11.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.574 HG22 ' HG ' ' A' ' 66' ' ' LEU . 47.2 t -104.26 146.01 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.769 ' OD1' HG23 ' A' ' 31' ' ' VAL . 4.4 m120 -129.98 106.21 16.63 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.656 0.741 . . . . 0.0 110.862 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.558 ' HA ' HD12 ' A' ' 64' ' ' LEU . 53.5 Cg_endo -69.78 -49.47 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.672 2.248 . . . . 0.0 112.335 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.6 mttt -83.34 22.31 1.04 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.05 175.6 11.59 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.496 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.8 tp -113.23 -41.35 3.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.794 0.331 . . . . 0.0 110.882 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -123.49 174.32 7.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -74.5 -13.31 60.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -82.48 -36.62 26.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 75.5 p -118.32 31.54 6.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.902 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -67.92 -28.79 67.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -77.39 -39.46 47.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.598 ' CD2' ' HG2' ' A' ' 118' ' ' ARG . 3.6 m-85 -92.71 173.41 7.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.558 HD12 ' HA ' ' A' ' 53' ' ' PRO . 5.2 tp -89.7 145.45 25.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 m -116.3 99.23 7.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 1.057 HD23 ' N ' ' A' ' 67' ' ' TYR . 5.8 tt -107.98 148.24 29.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 1.057 ' N ' HD23 ' A' ' 66' ' ' LEU . 78.4 m-85 -154.78 143.81 20.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.957 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.622 HD22 ' HB3' ' A' ' 82' ' ' PHE . 34.7 tp -93.0 112.88 24.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.919 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.482 HD23 ' SG ' ' A' ' 48' ' ' CYS . 6.1 tp -104.14 140.71 37.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.65 HD21 ' HB3' ' A' ' 73' ' ' CYS . 41.4 tp -89.23 84.0 6.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.619 HG13 ' H ' ' A' ' 72' ' ' SER . 0.4 OUTLIER -37.37 -64.29 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.832 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.619 ' H ' HG13 ' A' ' 71' ' ' VAL . 18.2 t -147.1 149.92 34.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.65 ' HB3' HD21 ' A' ' 70' ' ' LEU . 25.6 p -142.24 144.7 32.41 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.606 0.717 . . . . 0.0 110.888 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -48.54 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.657 2.238 . . . . 0.0 112.341 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.3 pttt -93.79 165.56 12.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.6 m -46.32 -71.48 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -119.45 158.96 25.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -144.88 137.94 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.155 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.9 mtt180 -105.23 132.36 51.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -159.83 158.48 31.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 61.1 mttt -103.85 135.9 44.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.622 ' HB3' HD22 ' A' ' 68' ' ' LEU . 44.4 p90 -116.05 154.28 30.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.516 ' CG ' ' HB3' ' A' ' 98' ' ' GLU . 0.0 OUTLIER -148.09 120.2 8.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -99.97 140.87 33.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 92.4 p -153.12 156.0 37.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 34.5 mt -114.85 128.68 71.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.179 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 mt -95.01 108.37 20.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.489 ' OD1' ' N ' ' A' ' 90' ' ' LYS . 27.8 p30 -57.77 179.41 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -54.65 -25.31 26.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.052 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.489 ' N ' ' OD1' ' A' ' 88' ' ' ASN . 0.8 OUTLIER -94.27 19.4 9.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.951 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.44 28.73 56.05 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.493 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -102.76 142.36 34.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.814 0.34 . . . . 0.0 110.901 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -68.21 133.54 49.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.4 t -156.91 139.32 14.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.159 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.561 ' HE2' ' CE2' ' A' ' 121' ' ' PHE . 31.6 mmtm 59.47 43.92 15.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.88 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -95.75 147.49 23.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.096 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.541 ' HE3' ' CD2' ' A' ' 113' ' ' PHE . 20.6 mtm -120.76 111.9 18.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.827 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.516 ' HB3' ' CG ' ' A' ' 83' ' ' LYS . 3.0 pt-20 -120.23 148.38 43.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.1 t -131.86 141.9 49.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -91.39 45.08 1.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.957 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -146.35 137.88 24.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -100.73 137.52 39.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -108.3 163.78 12.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.914 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -82.38 119.46 24.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.576 ' CZ ' HD23 ' A' ' 68' ' ' LEU . 33.8 m-85 -108.61 136.11 48.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.634 HG22 ' HB2' ' A' ' 109' ' ' LYS . 17.1 m -143.15 149.43 18.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.134 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -41.78 95.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 106' ' ' VAL . . . 108.55 18.64 9.4 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.492 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.634 ' HB2' HG22 ' A' ' 106' ' ' VAL . 14.4 tptt -102.0 135.23 43.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.768 0.318 . . . . 0.0 110.863 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -121.74 125.16 45.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 88.5 m95 -137.1 132.92 34.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 178.83 -142.87 5.58 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.482 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.541 ' CD2' ' HE3' ' A' ' 97' ' ' MET . 20.1 m-85 -132.16 152.58 51.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.938 0.399 . . . . 0.0 110.887 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 19.9 tttt -78.98 -54.59 5.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -103.23 95.86 6.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -88.22 -49.67 6.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.486 HG13 ' N ' ' A' ' 118' ' ' ARG . 8.2 tp -159.29 153.21 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.138 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.598 ' HG2' ' CD2' ' A' ' 63' ' ' TYR . 18.2 mtt180 -74.83 117.03 16.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 22.3 ttp180 -51.48 -38.01 51.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -65.77 -23.11 66.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.561 ' CE2' ' HE2' ' A' ' 95' ' ' LYS . 31.0 t80 -75.7 -42.94 49.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.939 ' HA ' HD12 ' A' ' 129' ' ' LEU . 5.8 mp -59.72 -56.34 23.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 9.1 mt -58.21 -18.92 29.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -59.92 142.44 53.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -82.17 -36.07 27.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.855 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -46.09 -43.04 14.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.12 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.554 ' OD1' ' CZ ' ' A' ' 121' ' ' PHE . 51.0 m-80 -83.04 -41.6 18.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 70.8 29.17 69.66 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.465 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.939 HD12 ' HA ' ' A' ' 122' ' ' LEU . 45.8 mt -62.96 -22.67 66.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.872 0.368 . . . . 0.0 110.909 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.698 HD23 ' O ' ' A' ' 129' ' ' LEU . 2.7 mt -134.21 85.26 39.58 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.595 0.712 . . . . 0.0 110.904 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -25.44 28.44 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.676 2.251 . . . . 0.0 112.341 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -133.39 26.71 4.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 66.36 32.07 7.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -113.8 120.02 39.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.726 HD11 ' HG ' ' A' ' 137' ' ' LEU . 3.5 tm? -93.16 101.55 13.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 0.492 HG23 ' HG2' ' A' ' 15' ' ' MET . 85.0 m -93.74 103.98 16.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.123 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.726 ' HG ' HD11 ' A' ' 135' ' ' LEU . 5.7 mt -101.33 110.41 22.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . 0.573 ' CZ ' ' HB2' ' A' ' 13' ' ' SER . 29.1 t80 -91.37 105.74 17.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.857 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' CYS . . . . . 0.431 ' SG ' HD21 ' A' ' 49' ' ' LEU . 51.7 t -103.28 149.83 24.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -135.14 117.99 16.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 20.7 t -110.6 135.33 50.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.136 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 10.7 m -126.01 108.37 11.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.83 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 91.4 t -84.72 124.38 39.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.125 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 144' ' ' VAL . 29.8 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 143' ' ' VAL . 7.2 p . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.902 0.382 . . . . 0.0 111.108 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 99.5 t -87.63 110.19 20.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.02 157.34 27.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 11.2 p90 -153.39 143.56 22.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.466 ' HB2' ' CE1' ' A' ' 138' ' ' PHE . 80.7 p -107.59 126.91 53.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.831 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -120.29 116.87 26.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 30.3 ttm -93.88 122.23 36.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.879 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.601 ' CZ2' HD11 ' A' ' 18' ' ' ILE . 8.7 t90 -118.44 100.4 7.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.948 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 85.3 m -91.64 108.93 20.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.183 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.601 HD11 ' CZ2' ' A' ' 16' ' ' TRP . 38.5 mt -88.68 103.98 14.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.146 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.452 ' C ' ' CG ' ' A' ' 20' ' ' ASN . 0.5 OUTLIER -66.13 147.53 53.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.452 ' CG ' ' C ' ' A' ' 19' ' ' ASN . 0.7 OUTLIER 48.58 47.42 20.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.935 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -61.06 -16.36 42.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.849 -179.828 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.925 0.393 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.509 HG23 ' ND2' ' A' ' 52' ' ' ASN . 7.5 p -137.13 151.19 26.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.158 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 55.3 mt -101.2 107.1 20.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.6 mttt -91.18 130.77 37.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.403 ' HB3' ' CE3' ' A' ' 16' ' ' TRP . 89.9 p -93.27 176.31 6.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 m -63.5 177.68 0.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.432 HG22 HG11 ' A' ' 71' ' ' VAL . 31.1 p -97.23 120.89 38.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.167 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 12.8 p90 -119.61 139.13 52.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 65.3 p . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.806 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.827 0.346 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.658 HD21 ' HZ2' ' A' ' 47' ' ' TRP . 19.4 tp -82.66 123.96 29.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.945 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.1 mmtm -118.56 167.96 11.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.658 ' HZ2' HD21 ' A' ' 45' ' ' LEU . 62.2 m95 -147.9 151.39 35.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.926 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.444 ' SG ' ' N ' ' A' ' 49' ' ' LEU . 29.0 t -138.32 161.69 36.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.478 HD22 HD11 ' A' ' 66' ' ' LEU . 22.8 mt -118.78 128.45 54.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.481 HH11 HD13 ' A' ' 69' ' ' LEU . 55.7 mtp180 -107.14 105.7 15.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.813 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.2 t -104.41 138.96 26.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.057 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.509 ' ND2' HG23 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -130.85 102.23 16.36 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.602 0.715 . . . . 0.0 110.857 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 52' ' ' ASN . 53.5 Cg_endo -69.79 -46.04 1.36 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.683 2.256 . . . . 0.0 112.333 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.7 mtpt -81.46 -14.19 57.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.874 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.35 177.8 51.98 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.459 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.588 HD22 ' N ' ' A' ' 56' ' ' LEU . 2.5 mm? -76.11 -47.1 25.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.817 0.341 . . . . 0.0 110.904 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -143.98 177.62 8.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.839 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -51.3 -22.49 2.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -61.8 -57.17 12.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.938 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 81.8 p -98.73 40.94 1.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.809 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -84.82 -34.32 22.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -70.57 -47.03 62.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.823 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.432 ' CD2' ' CG ' ' A' ' 115' ' ' LYS . 2.6 m-85 -97.53 162.77 13.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.497 HD23 ' N ' ' A' ' 65' ' ' SER . 9.8 tt -89.22 154.88 19.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.915 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.497 ' N ' HD23 ' A' ' 64' ' ' LEU . 1.0 OUTLIER -119.55 122.94 42.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.627 HD12 ' N ' ' A' ' 67' ' ' TYR . 5.0 tp -131.17 125.38 32.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.627 ' N ' HD12 ' A' ' 66' ' ' LEU . 61.7 m-85 -133.4 143.75 49.1 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 17.5 tp -93.68 105.38 17.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.929 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.481 HD13 HH11 ' A' ' 50' ' ' ARG . 6.5 tp -94.98 145.89 24.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.803 HD21 ' HB3' ' A' ' 73' ' ' CYS . 12.6 tp -95.01 84.87 4.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.578 HG13 ' H ' ' A' ' 72' ' ' SER . 0.2 OUTLIER -38.96 -63.65 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 179.822 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.578 ' H ' HG13 ' A' ' 71' ' ' VAL . 43.0 t -147.01 144.54 29.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.803 ' HB3' HD21 ' A' ' 70' ' ' LEU . 28.2 p -137.01 143.81 43.8 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.613 0.72 . . . . 0.0 110.891 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.412 ' HD2' HD13 ' A' ' 45' ' ' LEU . 53.8 Cg_endo -69.76 -46.82 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.666 2.244 . . . . 0.0 112.375 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.1 pttm -97.07 157.1 16.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.1 m -40.81 -69.77 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.816 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -118.02 159.2 23.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -147.28 141.25 19.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.132 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.4 mtp-105 -110.57 131.95 54.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -159.34 158.39 32.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.066 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.523 ' HG3' ' HB2' ' A' ' 102' ' ' ALA . 56.5 mttt -102.96 135.36 44.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -121.31 148.08 44.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.406 ' C ' ' HD2' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -138.56 127.82 24.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -106.71 142.8 35.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.847 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.471 ' HB3' ' CB ' ' A' ' 96' ' ' ALA . 23.5 p -157.03 163.37 39.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.551 HD11 HG21 ' A' ' 117' ' ' ILE . 26.3 mt -123.22 136.46 59.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.14 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.1 mt -98.62 109.47 22.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.578 ' HA ' HD13 ' A' ' 129' ' ' LEU . 41.1 p30 -60.26 -176.6 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.941 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.436 ' HB2' ' O ' ' A' ' 128' ' ' GLY . . . -55.71 -29.27 59.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.075 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.405 ' N ' ' OD1' ' A' ' 88' ' ' ASN . 1.3 mppt? -88.9 16.49 6.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 55.78 30.06 55.86 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.453 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -105.94 134.75 48.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.817 0.341 . . . . 0.0 110.903 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -54.83 132.73 46.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.518 HG21 HD11 ' A' ' 129' ' ' LEU . 5.7 t -153.52 149.43 27.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.163 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.521 ' HE2' ' CE1' ' A' ' 121' ' ' PHE . 34.0 mmtm 50.39 52.72 14.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.471 ' CB ' ' HB3' ' A' ' 85' ' ' SER . . . -103.9 152.74 21.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.088 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 19.6 mtm -126.71 120.1 28.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -93.88 157.65 16.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 28.5 t -100.63 157.99 16.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.453 ' NE2' ' HB3' ' A' ' 101' ' ' ARG . 3.4 pp0? -87.95 -38.01 15.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.941 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.453 ' HB3' ' NE2' ' A' ' 100' ' ' GLN . 37.7 ttt180 -153.73 164.01 39.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.523 ' HB2' ' HG3' ' A' ' 81' ' ' LYS . . . -72.9 160.12 32.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -119.71 163.98 16.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.949 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 15.8 ttm180 -82.36 96.19 7.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -87.28 148.78 24.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.609 HG22 ' HB2' ' A' ' 109' ' ' LYS . 13.8 m -153.58 145.66 14.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.121 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 106' ' ' VAL . 5.9 tt0 -37.69 97.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 106' ' ' VAL . . . 103.87 23.23 8.33 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.492 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.609 ' HB2' HG22 ' A' ' 106' ' ' VAL . 19.7 tptt -103.27 144.48 31.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.828 0.347 . . . . 0.0 110.872 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -130.47 121.04 25.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 94.9 m95 -133.24 134.66 44.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 169.19 -159.43 32.4 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.46 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -117.77 137.83 52.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.894 0.378 . . . . 0.0 110.866 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -66.1 -62.2 1.62 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.432 ' CG ' ' CD2' ' A' ' 63' ' ' TYR . 1.3 mptm? -87.01 91.44 8.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.447 ' CD2' HG22 ' A' ' 117' ' ' ILE . 10.1 t80 -78.86 -52.11 8.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.551 HG21 HD11 ' A' ' 86' ' ' ILE . 2.1 tt -170.96 146.68 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.114 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.409 ' HG2' ' CD1' ' A' ' 63' ' ' TYR . 25.1 mtt180 -54.64 119.51 5.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.42 ' HA ' HD13 ' A' ' 122' ' ' LEU . 14.3 ttt180 -53.83 -45.57 70.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -51.18 -41.1 59.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.525 ' CE1' ' ND2' ' A' ' 127' ' ' ASN . 12.8 t80 -52.52 -38.95 60.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' ' 119' ' ' ARG . 6.8 mp -64.85 -55.42 19.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.706 HD13 HD12 ' A' ' 130' ' ' LEU . 1.9 mm? -70.04 -11.53 60.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -58.48 149.36 25.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -89.81 -33.85 16.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.41 -36.92 64.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.525 ' ND2' ' CE1' ' A' ' 121' ' ' PHE . 13.8 m-20 -93.23 -44.54 8.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . 0.436 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . 69.24 44.19 67.22 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.524 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.578 HD13 ' HA ' ' A' ' 88' ' ' ASN . 1.9 mm? -64.6 -23.66 67.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.843 0.354 . . . . 0.0 110.94 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.706 HD12 HD13 ' A' ' 123' ' ' LEU . 1.7 mt -127.43 85.63 60.45 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.64 0.733 . . . . 0.0 110.876 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -22.71 31.7 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.675 2.25 . . . . 0.0 112.357 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -130.07 25.51 5.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 64.32 27.29 13.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -125.72 122.66 36.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 16.9 tp -88.44 114.18 24.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 95.2 m -96.18 95.22 7.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 7.4 mt -87.97 124.18 33.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . 0.466 ' CE1' ' HB2' ' A' ' 13' ' ' SER . 10.2 t80 -107.6 105.83 15.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 34.3 t -107.18 153.76 22.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -140.04 119.2 12.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 24.2 t -108.75 134.48 50.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.117 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.5 m -123.54 108.52 12.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.582 ' O ' HG23 ' A' ' 9' ' ' VAL . 59.4 t -84.62 128.23 39.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.15 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 144' ' ' VAL . 24.7 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.142 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 143' ' ' VAL . 7.4 p . . . . . 0 N--CA 1.458 -0.053 0 CA-C-O 120.906 0.384 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 68.6 t -88.55 100.82 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.127 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.53 155.48 26.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -153.68 140.8 19.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.479 ' HB2' ' CE1' ' A' ' 138' ' ' PHE . 97.0 p -109.8 130.14 55.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.832 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -123.85 121.86 36.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.933 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 38.5 ttm -92.7 119.63 32.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.924 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.605 ' CZ2' HD11 ' A' ' 18' ' ' ILE . 10.0 t90 -115.26 109.28 17.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 85.4 m -102.97 125.67 49.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.116 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.605 HD11 ' CZ2' ' A' ' 16' ' ' TRP . 32.2 mt -107.73 100.66 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.66 ' ND2' ' H ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -65.37 134.24 53.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 52.2 m-20 62.92 45.9 5.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.459 ' CZ ' ' HB3' ' A' ' 53' ' ' PRO . 69.7 t80 -47.38 -19.86 0.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.3 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 -179.79 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.857 0.36 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.608 HG23 ' ND2' ' A' ' 52' ' ' ASN . 12.3 p -126.2 162.1 30.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.091 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.532 ' N ' HG22 ' A' ' 31' ' ' VAL . 17.0 mt -109.81 117.56 54.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -100.08 108.59 20.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.556 ' HB3' ' CZ3' ' A' ' 16' ' ' TRP . 28.9 p -71.8 152.1 42.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 61.4 m -44.88 170.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.859 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.572 HG22 HG11 ' A' ' 71' ' ' VAL . 37.9 p -86.2 129.32 34.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.141 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -118.71 139.57 51.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.8 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.785 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 49.6 mmtt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.828 0.346 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.51 HD21 ' HZ2' ' A' ' 47' ' ' TRP . 32.4 tp -72.83 120.18 18.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 48.0 mmtt -116.03 160.57 20.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.51 ' HZ2' HD21 ' A' ' 45' ' ' LEU . 70.4 m95 -139.3 153.78 47.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.464 ' SG ' HD23 ' A' ' 69' ' ' LEU . 21.9 p -143.25 144.09 32.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.859 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 77.1 mt -100.62 136.38 40.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.403 ' HB3' HG21 ' A' ' 31' ' ' VAL . 18.8 mtp180 -107.87 102.66 11.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.853 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.595 HG22 ' HG ' ' A' ' 66' ' ' LEU . 88.2 t -104.28 140.33 22.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.608 ' ND2' HG23 ' A' ' 31' ' ' VAL . 39.5 m-80 -133.37 102.03 13.09 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.629 0.728 . . . . 0.0 110.881 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.485 ' HA ' HD23 ' A' ' 64' ' ' LEU . 53.8 Cg_endo -69.79 -32.87 17.61 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.707 2.271 . . . . 0.0 112.302 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.1 tttp -89.97 -14.37 34.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 86.27 162.09 36.38 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.486 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 31.2 mt -81.23 -54.95 5.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.85 0.357 . . . . 0.0 110.929 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -129.25 177.87 6.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -59.39 -12.91 6.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -74.15 -45.24 49.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 89.2 p -120.02 43.43 2.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.834 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.3 ptmm? -87.18 -33.51 19.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -82.15 -29.24 31.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.498 ' CE1' ' HG2' ' A' ' 118' ' ' ARG . 21.1 m-85 -97.67 166.84 11.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.969 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.549 HD22 ' O ' ' A' ' 52' ' ' ASN . 3.1 tm? -92.94 122.86 35.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.3 t -100.47 123.88 45.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.595 ' HG ' HG22 ' A' ' 51' ' ' VAL . 6.3 tt -135.18 113.69 11.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -114.6 168.19 10.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.759 HD23 ' CZ ' ' A' ' 105' ' ' PHE . 49.3 tp -110.09 100.13 9.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.901 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.783 HD12 ' O ' ' A' ' 109' ' ' LYS . 11.5 tp -90.29 141.29 28.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.809 HD23 ' C ' ' A' ' 106' ' ' VAL . 55.4 tp -93.91 87.6 5.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.572 HG11 HG22 ' A' ' 36' ' ' THR . 0.2 OUTLIER -42.83 -63.25 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.097 179.878 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.564 ' H ' HG13 ' A' ' 71' ' ' VAL . 3.3 m -146.41 147.7 31.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.823 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.704 ' HB3' HD21 ' A' ' 70' ' ' LEU . 28.8 p -137.8 143.05 38.62 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.606 0.717 . . . . 0.0 110.874 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.448 ' HD2' HD13 ' A' ' 45' ' ' LEU . 53.4 Cg_endo -69.79 -43.51 2.59 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.684 2.256 . . . . 0.0 112.315 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.9 pttm -101.49 162.11 13.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.921 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 72.1 m -41.41 -64.15 0.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.407 ' CB ' HG12 ' A' ' 106' ' ' VAL . 9.1 pt-20 -130.03 153.2 48.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.7 p -139.97 136.42 38.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.167 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 23.0 mtt-85 -104.18 133.94 48.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -160.64 160.09 31.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.09 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.443 ' HG3' ' HB2' ' A' ' 102' ' ' ALA . 34.8 mttm -103.09 155.55 18.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.578 ' HB3' HD22 ' A' ' 68' ' ' LEU . 23.9 p90 -139.53 155.63 47.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.824 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.8 tmmm? -147.99 116.75 6.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -97.95 138.19 35.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 77.4 p -149.27 162.32 40.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.83 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.494 HD11 HG21 ' A' ' 117' ' ' ILE . 30.8 mt -120.93 133.28 68.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.101 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.0 mt -96.86 106.01 18.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.652 ' ND2' ' H ' ' A' ' 92' ' ' GLU . 0.4 OUTLIER -57.66 -174.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.2 -31.39 61.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.88 9.53 9.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 62.58 20.85 61.98 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.652 ' H ' ' ND2' ' A' ' 88' ' ' ASN . 5.4 mm-40 -101.69 142.71 32.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.785 0.326 . . . . 0.0 110.908 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -58.57 137.88 57.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.1 t -157.44 136.11 11.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 47.0 mmtt 61.88 46.55 6.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -91.95 168.49 11.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.636 ' CE ' ' CG ' ' A' ' 113' ' ' PHE . 12.1 mtm -140.87 117.68 11.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -88.72 161.7 16.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 30.3 t -109.08 137.52 46.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.833 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -67.74 -63.19 1.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.923 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 13.2 ttp180 -130.52 160.22 34.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.443 ' HB2' ' HG3' ' A' ' 81' ' ' LYS . . . -70.25 168.85 14.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.089 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -130.12 173.74 10.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.934 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 -86.72 97.6 10.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.759 ' CZ ' HD23 ' A' ' 68' ' ' LEU . 38.7 m-85 -91.35 118.17 30.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.809 ' C ' HD23 ' A' ' 70' ' ' LEU . 15.1 m -127.65 166.6 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.133 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -51.95 118.1 3.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 80.5 20.8 65.65 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.497 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.783 ' O ' HD12 ' A' ' 69' ' ' LEU . 22.7 tptt -102.14 163.57 12.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.792 0.329 . . . . 0.0 110.919 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.427 ' OD1' ' C ' ' A' ' 68' ' ' LEU . 6.6 t0 -148.46 136.12 20.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.572 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 96.9 m95 -150.81 124.57 9.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.558 ' HA2' ' CZ ' ' A' ' 82' ' ' PHE . . . -176.7 -127.69 1.06 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.636 ' CG ' ' CE ' ' A' ' 97' ' ' MET . 66.5 m-85 -132.07 146.45 52.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.923 0.392 . . . . 0.0 110.914 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 8.7 tttp -76.52 -59.58 2.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -103.33 102.62 12.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -78.88 -54.16 6.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.494 HG21 HD11 ' A' ' 86' ' ' ILE . 2.1 tt -168.76 145.25 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.094 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.498 ' HG2' ' CE1' ' A' ' 63' ' ' TYR . 15.4 mtt180 -49.87 118.97 3.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.446 ' HE ' HD11 ' A' ' 123' ' ' LEU . 17.0 ttp180 -52.54 -42.49 64.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -53.67 -42.75 68.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.593 ' CZ ' ' OD1' ' A' ' 127' ' ' ASN . 13.7 t80 -53.19 -42.65 66.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.572 ' HA ' HD12 ' A' ' 129' ' ' LEU . 7.8 mp -59.52 -62.41 1.9 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.928 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.446 HD11 ' HE ' ' A' ' 119' ' ' ARG . 4.5 mt -59.41 -30.37 68.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -49.52 150.52 1.91 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -93.81 -35.41 12.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -42.79 -43.19 3.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.593 ' OD1' ' CZ ' ' A' ' 121' ' ' PHE . 8.1 m-20 -84.25 -40.58 17.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 69.66 38.55 77.82 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.466 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.572 HD12 ' HA ' ' A' ' 122' ' ' LEU . 50.3 mt -70.37 -24.09 62.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.81 0.338 . . . . 0.0 110.905 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.6 mt -126.0 82.93 64.01 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.611 0.72 . . . . 0.0 110.905 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -35.12 13.18 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.692 2.261 . . . . 0.0 112.309 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -112.2 25.06 11.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 61.04 35.87 18.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt -133.9 130.16 37.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.88 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 46.4 tp -93.68 112.56 24.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 76.1 m -92.5 95.53 9.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.414 HD22 ' CD1' ' A' ' 66' ' ' LEU . 17.9 mt -88.78 116.81 27.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.914 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . 0.479 ' CE1' ' HB2' ' A' ' 13' ' ' SER . 8.3 t80 -103.46 111.25 23.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 16.6 t -113.7 147.7 37.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.845 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -133.3 114.99 14.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.859 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 48.2 t -103.61 139.17 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 19.9 m -131.99 107.65 8.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.467 ' O ' HG23 ' A' ' 9' ' ' VAL . 64.6 t -84.14 130.64 35.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.111 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 25.6 m . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.14 179.945 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 143' ' ' VAL . 7.3 p . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.839 0.352 . . . . 0.0 111.108 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 84.0 t -97.44 107.25 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.172 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.25 156.06 28.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 12.8 p90 -141.28 146.18 36.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 89.6 p -114.19 125.99 54.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -118.07 115.31 24.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 36.6 ttm -88.14 114.33 24.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.55 ' CZ2' HD11 ' A' ' 18' ' ' ILE . 7.5 t90 -108.04 99.7 9.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 41.2 m -97.35 120.29 37.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.134 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.55 HD11 ' CZ2' ' A' ' 16' ' ' TRP . 34.3 mt -102.92 99.99 9.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.663 ' ND2' ' H ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -60.37 135.63 57.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.477 ' N ' ' O ' ' A' ' 133' ' ' ASP . 46.3 t-20 57.21 51.66 9.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -57.11 -11.91 1.87 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.3 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.824 -179.762 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.862 0.363 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.616 HG21 ' HB3' ' A' ' 50' ' ' ARG . 12.8 p -153.67 150.77 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 68.2 mt -92.52 103.43 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.148 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? -87.12 109.87 19.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 84.1 p -72.02 156.79 38.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.2 t -52.86 -174.83 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 43.6 p -98.65 127.19 44.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.188 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -124.95 151.03 45.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 99.4 p . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.791 -179.744 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.856 0.36 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.743 HD21 ' HZ2' ' A' ' 47' ' ' TRP . 44.0 tp -74.15 125.68 28.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -121.23 168.88 11.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.743 ' HZ2' HD21 ' A' ' 45' ' ' LEU . 49.8 m95 -149.41 147.46 28.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.938 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.5 p -137.59 153.51 49.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.52 HD22 HD21 ' A' ' 66' ' ' LEU . 29.5 mt -110.78 135.95 50.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.616 ' HB3' HG21 ' A' ' 31' ' ' VAL . 35.7 mtp180 -111.23 106.43 15.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.839 HG13 HD11 ' A' ' 64' ' ' LEU . 74.0 t -108.01 131.29 58.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.574 ' O ' HD22 ' A' ' 64' ' ' LEU . 0.5 OUTLIER -119.95 101.8 47.3 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.582 0.706 . . . . 0.0 110.906 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.488 ' HA ' ' CD2' ' A' ' 64' ' ' LEU . 53.5 Cg_endo -69.8 -28.84 24.57 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.713 2.275 . . . . 0.0 112.304 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.3 tttm -96.94 -11.35 24.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.885 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.93 160.34 20.77 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.484 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 85.0 mt -72.91 -54.81 7.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.843 0.354 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -126.77 166.35 17.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -53.66 -15.14 1.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -68.48 -42.34 78.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 51.4 p -124.53 51.15 1.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.854 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.3 ptmt -94.04 -34.12 13.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 62' ' ' ASP . 18.4 p-10 -74.18 -22.12 59.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.851 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.597 ' CD2' ' HG2' ' A' ' 115' ' ' LYS . 14.3 m-85 -105.95 170.43 7.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.839 HD11 HG13 ' A' ' 51' ' ' VAL . 2.7 tm? -96.7 125.9 41.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.919 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.429 ' N ' HD13 ' A' ' 64' ' ' LEU . 1.1 t -102.55 110.64 22.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.724 ' HG ' HG22 ' A' ' 51' ' ' VAL . 5.8 tt -119.73 115.77 24.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -121.5 147.59 45.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.817 HD22 ' HB3' ' A' ' 82' ' ' PHE . 15.9 tp -97.36 114.61 26.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.954 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.68 HD12 ' O ' ' A' ' 109' ' ' LYS . 6.9 tp -107.35 147.95 29.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.956 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.864 HD21 ' HB3' ' A' ' 73' ' ' CYS . 35.7 tp -96.37 88.75 4.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.569 HG13 ' H ' ' A' ' 72' ' ' SER . 0.2 OUTLIER -41.45 -65.65 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.835 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.569 ' H ' HG13 ' A' ' 71' ' ' VAL . 4.4 m -143.21 144.75 32.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.864 ' HB3' HD21 ' A' ' 70' ' ' LEU . 27.1 p -134.96 143.45 46.19 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.645 0.736 . . . . 0.0 110.851 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.497 ' HD2' HD13 ' A' ' 45' ' ' LEU . 53.8 Cg_endo -69.77 -49.51 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.642 2.228 . . . . 0.0 112.362 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.2 pttm -93.29 164.39 13.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.868 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.7 t -45.89 -61.69 1.63 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -128.32 158.44 38.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.5 p -143.24 140.28 26.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.138 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.533 ' O ' HG22 ' A' ' 144' ' ' VAL . 35.4 mtp180 -106.35 130.3 54.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -161.44 153.35 19.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.05 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.485 ' CD ' ' HB2' ' A' ' 102' ' ' ALA . 0.8 OUTLIER -107.41 136.96 46.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.817 ' HB3' HD22 ' A' ' 68' ' ' LEU . 31.5 p90 -115.95 159.43 21.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.403 ' C ' ' HD2' ' A' ' 83' ' ' LYS . 1.4 tmmt? -147.66 116.43 6.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -97.92 128.59 44.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.433 ' CB ' ' HB2' ' A' ' 96' ' ' ALA . 85.0 p -141.7 167.52 21.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.406 HD11 ' CE2' ' A' ' 116' ' ' PHE . 19.9 mt -126.03 133.45 68.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.0 mt -97.81 101.22 12.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.972 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.598 ' ND2' ' H ' ' A' ' 92' ' ' GLU . 0.3 OUTLIER -58.97 -175.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.48 -26.24 41.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.424 ' CB ' ' HG3' ' A' ' 92' ' ' GLU . 7.1 mptt -88.05 12.31 13.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.43 24.92 47.89 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.5 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.598 ' H ' ' ND2' ' A' ' 88' ' ' ASN . 6.5 mt-10 -105.97 140.47 38.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.841 0.353 . . . . 0.0 110.879 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -58.62 131.24 50.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.7 t -145.29 146.38 31.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.143 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.455 ' HE3' ' CE2' ' A' ' 121' ' ' PHE . 29.4 mmtt 48.98 47.56 21.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.433 ' HB2' ' CB ' ' A' ' 85' ' ' SER . . . -94.26 154.77 17.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.064 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.63 ' HE2' ' CD2' ' A' ' 113' ' ' PHE . 5.0 ptp -122.43 120.51 34.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -98.35 166.43 11.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 40.9 t -118.08 155.88 29.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.817 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -78.32 -59.39 2.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.937 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 78.4 mtt180 -131.62 -175.75 3.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.485 ' HB2' ' CD ' ' A' ' 81' ' ' LYS . . . -93.41 145.02 24.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.08 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -106.55 173.99 6.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -84.72 110.58 18.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.449 ' CZ ' HD23 ' A' ' 68' ' ' LEU . 25.0 m-85 -102.51 117.23 34.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.439 HG22 ' HB2' ' A' ' 109' ' ' LYS . 16.9 m -124.65 147.66 29.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -42.2 99.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 108.23 19.8 8.7 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.541 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.68 ' O ' HD12 ' A' ' 69' ' ' LEU . 14.6 tptt -104.69 143.19 33.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.799 0.333 . . . . 0.0 110.936 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -128.39 124.11 35.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.854 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 66.3 m95 -137.16 135.33 37.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.959 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 169.72 -153.69 22.14 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.428 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.63 ' CD2' ' HE2' ' A' ' 97' ' ' MET . 2.3 m-85 -114.11 153.08 30.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.93 0.395 . . . . 0.0 110.849 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 27.4 tttp -83.71 -55.84 4.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.91 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.597 ' HG2' ' CD2' ' A' ' 63' ' ' TYR . 2.6 mptt -101.48 95.16 6.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.406 ' CE2' HD11 ' A' ' 86' ' ' ILE . 11.0 t80 -79.99 -47.15 15.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.706 HD11 ' CD2' ' A' ' 121' ' ' PHE . 3.2 tt -174.62 145.26 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.109 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.538 ' HG2' ' CD1' ' A' ' 63' ' ' TYR . 15.9 mtt85 -57.32 120.13 7.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 10.2 ttp180 -49.23 -40.16 32.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -61.98 -39.56 92.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.706 ' CD2' HD11 ' A' ' 117' ' ' ILE . 37.1 t80 -59.03 -24.0 62.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.441 HD21 ' CG2' ' A' ' 117' ' ' ILE . 10.6 mt -77.42 -61.7 1.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.802 HD13 HD12 ' A' ' 130' ' ' LEU . 3.1 mm? -59.86 -27.27 66.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.45 ' HB2' ' ND2' ' A' ' 127' ' ' ASN . 22.9 m-20 -54.01 127.36 26.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -69.32 -36.53 77.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -43.99 -35.49 2.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.132 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.599 ' OD1' ' CZ ' ' A' ' 121' ' ' PHE . 1.4 m-80 -90.98 -30.81 16.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 69.46 3.16 38.54 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.45 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.646 ' O ' HD23 ' A' ' 130' ' ' LEU . 0.8 OUTLIER -41.05 -28.2 0.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.818 0.342 . . . . 0.0 110.942 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.802 HD12 HD13 ' A' ' 123' ' ' LEU . 6.0 mt -128.96 84.5 62.89 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.621 0.724 . . . . 0.0 110.94 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -31.15 21.15 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.684 2.256 . . . . 0.0 112.362 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -120.92 24.82 10.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' ' 20' ' ' ASN . 7.6 m-20 65.22 31.78 10.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -126.42 129.46 48.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 50.0 tp -92.8 96.32 10.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 85.9 m -75.81 95.31 3.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.404 HD13 HD11 ' A' ' 66' ' ' LEU . 15.2 mt -90.18 112.22 23.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.896 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -100.89 104.94 16.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 29.9 t -107.36 144.99 33.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -131.12 124.52 30.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 40.9 t -112.66 136.18 49.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.105 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -121.95 111.29 16.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.567 ' O ' HG23 ' A' ' 9' ' ' VAL . 67.7 t -85.84 120.21 35.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.195 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.74 HG23 ' O ' ' A' ' 144' ' ' VAL . 28.7 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.162 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 143' ' ' VAL . 7.1 p . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.832 0.349 . . . . 0.0 111.134 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 79.6 t -99.24 110.51 26.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.122 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.39 158.12 25.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.923 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -145.78 149.82 35.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.515 ' HB2' ' CZ ' ' A' ' 138' ' ' PHE . 81.0 p -110.01 137.54 47.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -132.36 117.39 18.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 36.4 ttm -89.01 113.0 24.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.468 ' CZ2' HD11 ' A' ' 18' ' ' ILE . 9.7 t90 -105.5 99.93 9.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.7 m -91.58 110.87 22.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.196 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.468 HD11 ' CZ2' ' A' ' 16' ' ' TRP . 23.8 mt -94.67 99.84 10.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.467 ' ND2' ' H ' ' A' ' 19' ' ' ASN . 0.6 OUTLIER -70.16 136.59 50.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 24.8 m-20 61.67 46.71 6.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.635 ' HZ ' HD12 ' A' ' 64' ' ' LEU . 73.0 t80 -61.24 -18.73 59.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 60.0 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.788 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.851 0.358 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.657 HG23 ' CG ' ' A' ' 52' ' ' ASN . 5.2 p -141.42 162.89 21.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.422 ' N ' HG22 ' A' ' 31' ' ' VAL . 64.7 mt -114.23 116.6 53.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.151 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.3 mttt -96.85 131.22 43.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 95.8 p -94.67 -178.37 4.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 m -69.93 173.69 6.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.858 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 72.3 p -97.84 125.73 42.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.105 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.421 ' CD1' ' N ' ' A' ' 37' ' ' PHE . 3.1 p90 -122.21 145.8 47.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.851 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.479 ' HB3' ' CE ' ' A' ' 46' ' ' LYS . 61.0 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 41.5 mmtt . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.812 0.339 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.654 HD21 ' CZ2' ' A' ' 47' ' ' TRP . 44.1 tp -54.41 123.74 13.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.479 ' CE ' ' HB3' ' A' ' 38' ' ' SER . 3.5 mmpt? -111.15 167.99 9.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.887 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.654 ' CZ2' HD21 ' A' ' 45' ' ' LEU . 73.9 m95 -147.6 148.83 31.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 24.4 t -143.79 151.74 40.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.481 HD22 HD21 ' A' ' 66' ' ' LEU . 81.2 mt -109.09 142.98 39.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.559 ' HB3' HG21 ' A' ' 31' ' ' VAL . 46.5 mtp180 -118.01 104.73 11.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.654 HG22 ' HG ' ' A' ' 66' ' ' LEU . 50.2 t -103.91 145.05 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.123 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.657 ' CG ' HG23 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -134.99 102.09 11.19 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.663 0.744 . . . . 0.0 110.831 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 52' ' ' ASN . 53.4 Cg_endo -69.82 -4.91 15.03 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.716 2.278 . . . . 0.0 112.341 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.0 tttt -130.36 0.8 4.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 70.06 -167.68 48.55 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.505 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.632 HD22 ' N ' ' A' ' 56' ' ' LEU . 1.9 mm? -97.01 -43.56 7.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.794 0.33 . . . . 0.0 110.94 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.49 ' CG ' ' N ' ' A' ' 58' ' ' GLU . 13.8 t70 -133.51 171.78 13.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.49 ' N ' ' CG ' ' A' ' 57' ' ' ASP . 10.8 mp0 -52.03 -24.42 6.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -53.91 -60.61 3.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.886 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 18.8 t -105.29 50.44 0.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -87.4 -32.48 19.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -72.08 -43.69 64.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.434 ' CD1' ' HG2' ' A' ' 115' ' ' LYS . 0.2 OUTLIER -93.33 167.13 11.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.827 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.635 HD12 ' HZ ' ' A' ' 21' ' ' PHE . 9.1 tt -94.76 149.46 21.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.914 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.471 ' N ' HD23 ' A' ' 64' ' ' LEU . 1.8 t -116.65 125.55 51.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.807 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.654 ' HG ' HG22 ' A' ' 51' ' ' VAL . 5.1 tt -129.87 114.6 16.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -119.43 144.47 46.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.745 HD22 ' HB3' ' A' ' 82' ' ' PHE . 16.8 tp -94.13 106.34 18.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.923 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.678 HD12 ' O ' ' A' ' 109' ' ' LYS . 7.1 tp -99.21 145.4 27.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.845 HD21 ' HB3' ' A' ' 73' ' ' CYS . 47.5 tp -93.73 84.09 4.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.549 HG13 ' H ' ' A' ' 72' ' ' SER . 0.2 OUTLIER -35.26 -65.66 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 179.895 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.549 ' H ' HG13 ' A' ' 71' ' ' VAL . 8.7 m -145.85 145.68 30.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.845 ' HB3' HD21 ' A' ' 70' ' ' LEU . 30.4 p -139.16 140.9 27.82 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.592 0.711 . . . . 0.0 110.926 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -47.97 0.83 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.662 2.241 . . . . 0.0 112.389 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.6 pttt -90.91 157.25 17.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 70.8 m -43.17 -66.69 0.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -120.78 159.72 24.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.864 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.5 p -150.5 134.95 9.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.155 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.653 ' O ' HG22 ' A' ' 144' ' ' VAL . 40.7 mtt180 -104.27 135.96 44.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.868 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -160.66 156.22 25.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.174 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.413 ' HG3' ' HB2' ' A' ' 102' ' ' ALA . 36.4 mttm -103.92 138.73 40.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.745 ' HB3' HD22 ' A' ' 68' ' ' LEU . 51.8 p90 -124.83 154.52 40.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.0 tmmm? -147.86 120.31 8.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -98.11 141.96 30.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.58 ' HB2' ' HB2' ' A' ' 96' ' ' ALA . 18.0 p -156.37 145.68 20.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.549 HD11 HG21 ' A' ' 117' ' ' ILE . 47.6 mt -106.12 123.92 61.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.112 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.0 mt -88.55 115.34 26.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.445 ' C ' ' OD1' ' A' ' 88' ' ' ASN . 37.4 p30 -65.75 -176.67 0.39 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -52.73 -36.82 58.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.108 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.465 ' HD2' ' N ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -85.09 17.28 3.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 57.76 27.91 59.65 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.494 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -99.91 134.24 43.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.817 0.342 . . . . 0.0 110.866 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -58.35 133.75 55.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.459 HG22 ' O ' ' A' ' 86' ' ' ILE . 4.0 t -155.37 141.37 18.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.126 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.43 ' HB3' HD12 ' A' ' 117' ' ' ILE . 20.1 mmmt 59.75 40.16 19.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.58 ' HB2' ' HB2' ' A' ' 85' ' ' SER . . . -91.66 162.22 14.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.048 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.457 ' HE3' ' CD1' ' A' ' 113' ' ' PHE . 23.5 mtm -139.91 140.86 36.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -115.2 162.76 16.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.5 t -103.01 147.4 26.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -59.44 -42.67 92.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 46.5 ptt85 -162.85 174.56 12.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.413 ' HB2' ' HG3' ' A' ' 81' ' ' LYS . . . -68.62 153.86 42.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.083 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -123.07 170.85 9.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 48.3 ttt-85 -89.69 108.86 19.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.47 ' CZ ' HD23 ' A' ' 68' ' ' LEU . 63.1 m-85 -98.62 150.15 22.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.87 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.508 HG22 ' HB2' ' A' ' 109' ' ' LYS . 13.2 m -152.65 148.25 14.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.136 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -39.19 97.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.945 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 106' ' ' VAL . . . 105.29 22.28 8.32 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.483 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.678 ' O ' HD12 ' A' ' 69' ' ' LEU . 11.4 tptt -101.88 142.12 33.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.819 0.343 . . . . 0.0 110.866 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -128.27 123.37 33.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.871 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 77.4 m95 -134.23 131.89 39.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 171.69 -152.89 18.71 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.457 ' CD1' ' HE3' ' A' ' 97' ' ' MET . 15.4 m-85 -123.82 144.89 49.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.92 0.39 . . . . 0.0 110.869 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 24.4 tttp -72.14 -56.25 5.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.936 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.434 ' HG2' ' CD1' ' A' ' 63' ' ' TYR . 16.9 mttp -98.28 94.54 6.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.677 ' CD2' HG22 ' A' ' 117' ' ' ILE . 14.4 t80 -80.95 -56.09 4.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.677 HG22 ' CD2' ' A' ' 116' ' ' PHE . 3.0 tt -161.62 147.4 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.099 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.431 ' HG2' ' CD2' ' A' ' 63' ' ' TYR . 16.3 mtt180 -57.75 118.44 5.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 16.2 ttp180 -51.52 -32.77 29.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -63.0 -38.39 90.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.531 ' CZ ' ' OD1' ' A' ' 127' ' ' ASN . 6.1 t80 -58.63 -36.44 74.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.784 ' HA ' HD12 ' A' ' 129' ' ' LEU . 6.5 mp -69.11 -54.44 14.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.928 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.3 mt -67.73 -22.05 65.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.474 ' OD2' ' HB3' ' A' ' 126' ' ' ALA . 19.4 t70 -54.98 158.95 2.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -99.76 -32.73 10.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.474 ' HB3' ' OD2' ' A' ' 124' ' ' ASP . . . -52.25 -31.9 34.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.531 ' OD1' ' CZ ' ' A' ' 121' ' ' PHE . 41.0 m-20 -94.16 -32.78 13.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 58.03 42.08 94.8 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.518 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.784 HD12 ' HA ' ' A' ' 122' ' ' LEU . 69.6 mt -73.58 -20.01 60.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.848 0.356 . . . . 0.0 110.957 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.74 HD23 ' O ' ' A' ' 129' ' ' LEU . 1.9 mt -130.12 81.08 69.59 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.616 0.722 . . . . 0.0 110.923 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -21.4 33.24 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.656 2.238 . . . . 0.0 112.337 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -129.62 26.59 5.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 64.69 25.35 13.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 2.6 ptpt -123.48 132.86 54.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 15.1 tp -97.52 114.18 26.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 93.2 m -90.68 95.83 10.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.206 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 10.5 mt -93.6 113.57 25.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . 0.515 ' CZ ' ' HB2' ' A' ' 13' ' ' SER . 17.2 t80 -99.5 105.89 17.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 29.6 t -106.95 146.09 31.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -130.32 114.3 15.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 20.3 t -103.72 133.88 46.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 11.1 m -120.81 111.96 18.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.822 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.493 ' O ' HG23 ' A' ' 9' ' ' VAL . 97.4 t -86.27 127.17 40.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.104 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' ' 144' ' ' VAL . 25.4 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.127 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.8 p . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.8 0.333 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 90.2 t -88.13 103.72 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.16 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.16 155.39 30.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -141.05 145.8 36.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.574 ' HB2' ' CZ ' ' A' ' 138' ' ' PHE . 85.3 p -107.84 126.6 52.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.552 ' CD1' ' HB3' ' A' ' 37' ' ' PHE . 87.9 t80 -118.44 109.65 16.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 28.1 ttm -89.81 121.04 31.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.474 ' CZ2' HD11 ' A' ' 18' ' ' ILE . 9.5 t90 -120.19 105.89 11.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 97.3 m -94.02 129.09 40.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.086 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.474 HD11 ' CZ2' ' A' ' 16' ' ' TRP . 44.6 mt -111.74 98.46 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.22 138.34 57.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.4 ' OD1' ' N ' ' A' ' 20' ' ' ASN . 0.9 OUTLIER 60.05 49.19 7.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.852 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 53' ' ' PRO . 66.8 t80 -57.18 -25.56 59.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.848 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.0 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.755 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.48 ' O ' ' ND2' ' A' ' 52' ' ' ASN . 12.6 mp0 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.846 0.355 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.529 HG21 ' HB3' ' A' ' 50' ' ' ARG . 14.4 p -117.34 144.39 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.083 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 18.5 mt -88.85 105.79 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.8 mtmm -88.84 115.3 26.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 57.3 p -74.76 -177.67 3.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.3 p -73.39 170.6 14.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.797 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 70.6 p -87.64 130.13 34.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.156 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.552 ' HB3' ' CD1' ' A' ' 14' ' ' TYR . 6.5 p90 -119.74 155.52 32.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.919 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 56.3 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.797 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.8 mmtp . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.838 0.351 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.486 HD22 ' NE1' ' A' ' 47' ' ' TRP . 2.1 tt -66.02 127.31 31.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.55 ' C ' ' CG1' ' A' ' 71' ' ' VAL . 37.8 mmtm -117.63 156.38 28.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.494 ' HA ' HG12 ' A' ' 71' ' ' VAL . 70.2 m95 -132.02 151.02 51.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.479 ' SG ' HD23 ' A' ' 69' ' ' LEU . 14.5 p -138.88 154.64 48.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.848 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.483 HD23 HD22 ' A' ' 68' ' ' LEU . 12.4 mt -114.69 132.64 56.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.968 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.529 ' HB3' HG21 ' A' ' 31' ' ' VAL . 23.3 mtp180 -109.09 104.69 13.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.835 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.816 HG22 HD13 ' A' ' 66' ' ' LEU . 94.3 t -112.91 136.29 49.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.601 ' O ' HD22 ' A' ' 64' ' ' LEU . 5.2 t-20 -131.17 101.85 16.1 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.606 0.717 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.57 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 53.7 Cg_endo -69.74 -2.21 9.77 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.676 2.251 . . . . 0.0 112.363 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.0 tttt -124.07 6.96 8.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 61.47 -165.94 16.75 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.492 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 18.4 mt -112.57 -44.26 3.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.813 0.34 . . . . 0.0 110.89 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 0.2 OUTLIER -121.15 153.25 37.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.861 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -48.27 -20.6 0.4 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -68.75 -64.22 0.91 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.418 ' CB ' ' HD3' ' A' ' 115' ' ' LYS . 79.7 p -89.81 32.82 0.87 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.478 ' CG ' ' N ' ' A' ' 62' ' ' ASP . 10.1 ptmt -78.57 -46.64 18.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.478 ' N ' ' CG ' ' A' ' 61' ' ' LYS . 29.1 m-20 -63.66 -20.18 65.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.574 ' CE2' ' HG3' ' A' ' 118' ' ' ARG . 75.2 m-85 -105.45 160.69 14.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.614 HD13 ' N ' ' A' ' 65' ' ' SER . 2.8 tm? -89.68 125.59 35.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.614 ' N ' HD13 ' A' ' 64' ' ' LEU . 32.4 t -98.43 112.31 24.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.816 HD13 HG22 ' A' ' 51' ' ' VAL . 23.1 tp -123.96 123.02 39.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.924 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -127.37 149.32 50.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.483 HD22 HD23 ' A' ' 49' ' ' LEU . 0.7 OUTLIER -95.46 109.07 21.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.914 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.951 HD12 ' O ' ' A' ' 109' ' ' LYS . 7.0 tp -102.3 143.16 32.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.71 HD21 ' HB3' ' A' ' 73' ' ' CYS . 40.5 tp -92.95 82.71 4.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.65 HG13 ' H ' ' A' ' 72' ' ' SER . 1.3 p -34.03 -59.86 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.144 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.65 ' H ' HG13 ' A' ' 71' ' ' VAL . 45.4 t -152.37 156.88 40.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.71 ' HB3' HD21 ' A' ' 70' ' ' LEU . 28.7 p -148.13 142.68 16.72 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.584 0.707 . . . . 0.0 110.911 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -51.11 0.4 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.638 2.225 . . . . 0.0 112.375 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.0 pttm -90.6 167.93 12.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.3 t -45.28 -62.41 1.27 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.479 ' CB ' HG12 ' A' ' 106' ' ' VAL . 5.0 pt-20 -132.33 160.52 36.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.5 p -139.12 150.36 23.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.137 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.624 ' O ' HG22 ' A' ' 144' ' ' VAL . 20.6 mtt180 -114.77 127.68 55.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -153.88 161.38 42.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.681 ' HG3' ' HB2' ' A' ' 102' ' ' ALA . 61.6 mttt -109.93 121.92 46.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 22.4 p90 -106.32 148.82 27.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.404 ' C ' ' HD2' ' A' ' 83' ' ' LYS . 1.1 tmmt? -141.08 124.66 16.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -101.63 133.81 45.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 60.7 p -147.63 166.44 27.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.454 HD11 HG21 ' A' ' 117' ' ' ILE . 19.1 mt -129.33 132.02 67.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.9 mt -94.59 110.97 22.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.935 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.618 ' ND2' ' H ' ' A' ' 92' ' ' GLU . 0.6 OUTLIER -65.53 -174.93 0.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -52.66 -35.04 54.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.14 14.8 3.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.927 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.66 23.59 44.43 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.444 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.618 ' H ' ' ND2' ' A' ' 88' ' ' ASN . 24.3 mt-10 -101.27 139.05 37.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.809 0.338 . . . . 0.0 110.877 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -57.24 133.86 55.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.861 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.434 HG23 ' HG2' ' A' ' 95' ' ' LYS . 5.7 t -153.89 150.02 27.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.194 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.483 ' HE3' ' CE2' ' A' ' 121' ' ' PHE . 0.0 OUTLIER 49.94 49.94 19.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.868 179.903 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -102.17 158.29 16.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.462 ' CE ' ' CG ' ' A' ' 113' ' ' PHE . 19.0 mtm -130.75 132.76 45.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -106.67 170.29 8.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.8 m -115.36 160.83 19.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.843 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -76.28 -66.12 0.84 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 24.0 ttt-85 -136.75 140.92 42.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.825 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.681 ' HB2' ' HG3' ' A' ' 81' ' ' LYS . . . -43.2 146.95 0.39 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.065 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -108.21 160.02 16.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 18.2 ttt180 -74.47 98.84 3.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.493 ' CE1' ' HB2' ' A' ' 111' ' ' TRP . 13.5 m-85 -87.4 149.11 24.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.615 ' C ' HD23 ' A' ' 70' ' ' LEU . 11.4 m -151.59 164.58 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.108 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.401 HE21 ' N ' ' A' ' 108' ' ' GLY . 1.0 OUTLIER -53.29 119.43 4.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.401 ' N ' HE21 ' A' ' 107' ' ' GLN . . . 80.31 18.12 72.29 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.537 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.951 ' O ' HD12 ' A' ' 69' ' ' LEU . 19.5 tptt -89.98 158.66 17.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.764 0.316 . . . . 0.0 110.886 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -144.35 123.52 12.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.493 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 77.8 m95 -134.62 124.78 25.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 179.37 -158.43 22.37 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.455 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.462 ' CG ' ' CE ' ' A' ' 97' ' ' MET . 2.9 m-85 -116.61 162.95 16.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.934 0.397 . . . . 0.0 110.865 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 25.4 tttt -88.98 -46.42 8.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.419 ' HD2' ' CD1' ' A' ' 63' ' ' TYR . 8.9 mmtm -110.11 92.73 4.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -79.42 -49.97 11.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.733 HD11 ' CD2' ' A' ' 121' ' ' PHE . 3.2 tt -171.59 147.46 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.574 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 21.0 mtm180 -59.15 112.94 1.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.456 ' HA ' HD13 ' A' ' 122' ' ' LEU . 15.5 ttp180 -45.79 -35.64 4.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.17 -35.57 80.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.733 ' CD2' HD11 ' A' ' 117' ' ' ILE . 49.8 t80 -61.15 -26.04 67.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.839 HD23 HD13 ' A' ' 135' ' ' LEU . 5.9 mp -75.64 -54.04 7.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.601 HD22 ' N ' ' A' ' 123' ' ' LEU . 1.9 mm? -82.64 21.45 0.99 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -87.99 158.16 18.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -93.22 -34.3 13.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.08 -43.43 70.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.086 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.584 ' OD1' ' CZ ' ' A' ' 121' ' ' PHE . 12.7 m-80 -92.61 -47.53 7.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 74.43 42.9 32.52 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.526 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.629 HD23 ' O ' ' A' ' 121' ' ' PHE . 3.1 mm? -60.11 -25.77 65.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.9 0.381 . . . . 0.0 110.961 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.464 HD23 ' N ' ' A' ' 134' ' ' LYS . 5.8 mp -124.59 93.04 46.98 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.581 0.705 . . . . 0.0 110.919 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -21.9 32.9 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.67 2.247 . . . . 0.0 112.326 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -129.7 25.7 5.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.831 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 63.75 37.67 9.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.464 ' N ' HD23 ' A' ' 130' ' ' LEU . 3.8 ptpt -134.43 128.37 33.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.839 HD13 HD23 ' A' ' 122' ' ' LEU . 18.1 tp -88.23 115.19 25.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 73.4 m -99.47 96.94 8.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.137 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.453 ' CD1' HG21 ' A' ' 51' ' ' VAL . 8.1 mt -89.46 123.22 33.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . 0.574 ' CZ ' ' HB2' ' A' ' 13' ' ' SER . 19.3 t80 -108.98 105.91 15.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' CYS . . . . . 0.444 ' CB ' HD11 ' A' ' 49' ' ' LEU . 42.5 t -106.36 136.75 45.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -121.81 113.48 19.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 59.1 t -105.75 131.44 55.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 15.1 m -118.73 117.66 29.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.838 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 57.7 t -88.74 120.27 37.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.123 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.624 HG22 ' O ' ' A' ' 79' ' ' ARG . 34.7 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.129 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.499 HG22 ' HD2' ' A' ' 11' ' ' LYS . 2.4 p . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.892 0.377 . . . . 0.0 111.124 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 94.3 t -91.07 96.98 6.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.136 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.499 ' HD2' HG22 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -90.59 158.6 16.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.579 ' CE2' ' HB ' ' A' ' 141' ' ' VAL . 5.0 p90 -167.97 137.67 2.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.883 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.414 ' HB2' ' CE1' ' A' ' 138' ' ' PHE . 59.9 p -111.63 153.24 26.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.735 ' CD2' ' CD2' ' A' ' 37' ' ' PHE . 16.3 t80 -139.03 117.65 12.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.934 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 29.0 ttm -86.94 124.55 33.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.55 ' CZ2' HD11 ' A' ' 18' ' ' ILE . 11.3 t90 -123.47 103.14 8.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.519 HG22 ' HB3' ' A' ' 134' ' ' LYS . 7.4 m -94.06 117.77 30.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.55 HD11 ' CZ2' ' A' ' 16' ' ' TRP . 78.0 mt -97.4 102.46 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -66.92 134.06 51.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' A' ' 20' ' ' ASN . 0.8 OUTLIER 64.8 44.97 3.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.544 ' HZ ' HD12 ' A' ' 64' ' ' LEU . 85.1 t80 -55.46 -31.5 62.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 78.6 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.797 -179.775 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.913 0.387 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 51' ' ' VAL . 7.6 p -146.79 143.91 20.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.09 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 25.3 mt -89.6 100.54 11.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.183 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.1 mttt -84.64 121.03 27.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 77.3 p -76.92 170.12 17.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.2 m -66.12 173.71 2.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.844 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 43.0 p -87.94 125.4 34.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.165 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.735 ' CD2' ' CD2' ' A' ' 14' ' ' TYR . 45.4 p90 -122.52 142.11 50.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.85 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.3 p . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.839 -179.797 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.2 mmtt . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.792 0.33 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.538 ' C ' HD12 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -70.65 104.66 2.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.906 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.504 ' N ' HD12 ' A' ' 45' ' ' LEU . 51.0 mmtt -105.9 170.32 7.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 59.6 m95 -144.73 152.93 41.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.93 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.6 p -144.13 153.66 42.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.661 HD21 ' SG ' ' A' ' 139' ' ' CYS . 90.8 mt -110.25 137.25 48.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 49.6 mtp180 -112.11 103.6 11.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.835 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.822 HG13 HD21 ' A' ' 64' ' ' LEU . 76.5 t -106.57 144.24 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.151 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.43 ' ND2' ' HB ' ' A' ' 31' ' ' VAL . 0.5 OUTLIER -134.47 102.35 11.69 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.665 0.745 . . . . 0.0 110.858 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 52' ' ' ASN . 53.5 Cg_endo -69.79 -44.03 2.3 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.671 2.248 . . . . 0.0 112.31 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 30.0 tttp -80.15 -3.33 48.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 68.42 150.79 0.3 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.424 HD22 ' N ' ' A' ' 56' ' ' LEU . 3.5 mm? -61.7 -55.87 25.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.83 0.348 . . . . 0.0 110.91 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.488 ' CG ' ' N ' ' A' ' 58' ' ' GLU . 14.6 t70 -136.09 171.54 14.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.488 ' N ' ' CG ' ' A' ' 57' ' ' ASP . 16.7 mp0 -52.44 -19.85 2.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -58.14 -46.05 86.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.5 p -124.09 50.41 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.7 ptmm? -84.89 -29.92 24.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -66.62 -56.88 8.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.548 ' CD2' ' HG2' ' A' ' 118' ' ' ARG . 0.3 OUTLIER -89.09 177.3 6.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.969 -179.879 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.822 HD21 HG13 ' A' ' 51' ' ' VAL . 9.1 tt -96.51 156.23 16.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.562 ' N ' HD23 ' A' ' 64' ' ' LEU . 7.4 t -117.36 114.5 23.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.825 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.631 ' HG ' HG22 ' A' ' 51' ' ' VAL . 6.0 tt -127.08 114.18 17.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.946 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -119.45 148.67 42.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.586 ' C ' HD13 ' A' ' 68' ' ' LEU . 2.0 tm? -92.36 107.18 19.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.919 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.629 HD12 ' O ' ' A' ' 109' ' ' LYS . 6.7 tp -102.32 152.69 20.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.923 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.767 HD21 ' HB3' ' A' ' 73' ' ' CYS . 15.8 tp -102.26 94.44 5.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.579 HG13 ' H ' ' A' ' 72' ' ' SER . 0.2 OUTLIER -47.54 -66.81 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 179.844 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.579 ' H ' HG13 ' A' ' 71' ' ' VAL . 22.9 t -143.36 143.63 31.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.892 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.767 ' HB3' HD21 ' A' ' 70' ' ' LEU . 31.4 p -136.1 142.67 40.97 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.584 0.707 . . . . 0.0 110.936 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -43.98 2.33 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.689 2.26 . . . . 0.0 112.334 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.3 pttm -97.8 159.01 15.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 t -45.81 -61.25 1.8 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.822 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -123.26 159.35 28.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.5 p -149.65 140.44 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.7 ' O ' HG22 ' A' ' 144' ' ' VAL . 5.7 mtt-85 -107.67 121.74 45.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -151.19 156.39 40.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.068 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.674 ' HG3' ' HB2' ' A' ' 102' ' ' ALA . 37.9 mttt -103.69 143.94 32.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -124.29 153.31 41.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.406 ' C ' ' HD2' ' A' ' 83' ' ' LYS . 1.2 tmmt? -146.95 126.7 13.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.926 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.44 ' CD2' HD22 ' A' ' 66' ' ' LEU . 12.6 m-85 -104.22 136.52 43.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.498 ' CB ' ' HB2' ' A' ' 96' ' ' ALA . 32.6 p -149.42 162.81 39.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 26.3 mt -121.69 132.15 71.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.137 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.439 HD21 ' HG3' ' A' ' 93' ' ' GLU . 6.5 mt -98.53 105.89 18.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.675 ' ND2' ' H ' ' A' ' 92' ' ' GLU . 0.4 OUTLIER -59.93 -176.37 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -54.54 -28.53 46.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.103 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.02 13.97 8.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.917 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.79 25.46 52.1 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.484 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.675 ' H ' ' ND2' ' A' ' 88' ' ' ASN . 23.6 mt-10 -102.65 142.58 33.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.807 0.336 . . . . 0.0 110.915 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.439 ' HG3' HD21 ' A' ' 87' ' ' LEU . 6.2 mt-10 -63.82 134.17 54.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.891 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.8 t -156.36 146.7 21.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.148 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 51.8 mmtt 54.51 46.09 25.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.498 ' HB2' ' CB ' ' A' ' 85' ' ' SER . . . -100.28 156.02 17.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.127 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 20.9 mtm -127.03 122.24 33.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -94.88 158.89 15.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 53.7 p -103.52 159.79 15.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.878 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -77.73 -66.23 0.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -133.71 167.34 20.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.674 ' HB2' ' HG3' ' A' ' 81' ' ' LYS . . . -71.51 161.63 30.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.088 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -126.53 169.13 13.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.899 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 23.3 ttm180 -80.29 99.49 7.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.519 ' CE1' HD12 ' A' ' 68' ' ' LEU . 35.3 m-85 -90.46 142.01 28.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.518 HG22 ' HB2' ' A' ' 109' ' ' LYS . 17.0 m -149.74 146.87 16.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.101 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -40.17 100.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.927 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 104.41 20.37 10.35 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.491 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.629 ' O ' HD12 ' A' ' 69' ' ' LEU . 20.9 tptt -102.91 145.37 29.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.806 0.336 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -130.2 123.78 31.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 71.1 m95 -138.51 115.32 10.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -171.73 -154.83 10.27 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.48 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -120.64 145.9 46.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.981 0.42 . . . . 0.0 110.878 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.8 tttt -75.77 -59.53 2.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -88.6 92.89 9.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -84.52 -56.75 3.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.873 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.644 HG12 HD21 ' A' ' 122' ' ' LEU . 7.3 tp -157.91 153.42 6.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.548 ' HG2' ' CD2' ' A' ' 63' ' ' TYR . 28.4 mtt180 -75.69 107.51 7.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.814 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 37.4 mtp180 -38.51 -45.24 1.03 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -53.45 -42.06 66.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.593 ' CE1' ' OD1' ' A' ' 127' ' ' ASN . 65.8 t80 -63.68 -32.44 73.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.761 ' HA ' HD12 ' A' ' 129' ' ' LEU . 12.6 mt -73.69 -56.97 4.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.448 ' HA ' HD12 ' A' ' 130' ' ' LEU . 5.6 mp -61.41 -25.37 67.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.94 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.5 ' OD2' ' HB3' ' A' ' 126' ' ' ALA . 13.2 t70 -54.64 159.15 2.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -100.21 -33.99 10.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.5 ' HB3' ' OD2' ' A' ' 124' ' ' ASP . . . -45.33 -38.07 5.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.085 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.593 ' OD1' ' CE1' ' A' ' 121' ' ' PHE . 8.8 m-80 -86.38 -40.0 15.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.973 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 74.18 38.61 46.53 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.455 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.761 HD12 ' HA ' ' A' ' 122' ' ' LEU . 73.4 mt -78.73 -22.08 47.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.818 0.342 . . . . 0.0 110.919 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.707 HD23 ' O ' ' A' ' 129' ' ' LEU . 2.5 mt -133.61 84.65 44.77 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.594 0.711 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -23.58 30.82 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.669 2.246 . . . . 0.0 112.36 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -133.39 28.33 4.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 20' ' ' ASN . 4.3 m-20 64.99 27.07 12.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.835 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.519 ' HB3' HG22 ' A' ' 17' ' ' THR . 6.5 mtpt -112.71 124.04 51.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.443 HD22 ' CE1' ' A' ' 21' ' ' PHE . 67.5 tp -96.81 95.38 7.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.962 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 81.8 m -80.52 95.45 6.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.185 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 17.0 mt -90.7 115.6 27.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . 0.414 ' CE1' ' HB2' ' A' ' 13' ' ' SER . 30.2 t80 -98.35 109.65 22.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' CYS . . . . . 0.661 ' SG ' HD21 ' A' ' 49' ' ' LEU . 42.0 t -104.23 150.17 24.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.874 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -134.77 115.04 13.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.579 ' HB ' ' CE2' ' A' ' 12' ' ' PHE . 22.4 t -107.21 139.6 28.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.109 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . 0.402 ' CB ' ' HG3' ' A' ' 11' ' ' LYS . 3.2 m -126.85 107.19 9.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.452 ' O ' HG23 ' A' ' 9' ' ' VAL . 47.9 t -87.26 110.53 20.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.174 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.7 HG22 ' O ' ' A' ' 79' ' ' ARG . 19.4 m . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.526 HG22 ' N ' ' A' ' 10' ' ' VAL . 2.2 p . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.828 0.346 . . . . 0.0 111.186 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.526 ' N ' HG22 ' A' ' 9' ' ' VAL . 57.5 t -111.78 99.99 9.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.15 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.5 ' HG2' ' CB ' ' A' ' 142' ' ' SER . 18.5 mtmt -108.5 160.61 15.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.575 ' CZ ' ' HB ' ' A' ' 141' ' ' VAL . 34.0 p90 -159.26 135.23 8.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.831 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.499 ' HB2' ' CE1' ' A' ' 138' ' ' PHE . 93.9 p -107.29 132.17 53.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.828 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -122.35 115.93 23.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.87 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 32.9 ttm -87.14 119.14 27.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.93 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.406 ' HZ3' HG23 ' A' ' 51' ' ' VAL . 8.9 t90 -118.54 99.52 6.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.2 m -90.63 126.94 36.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.151 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 29.5 mt -106.73 100.81 11.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.8 127.54 33.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 74.76 44.21 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.528 ' HZ ' HD12 ' A' ' 64' ' ' LEU . 91.8 t80 -54.55 -38.15 66.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.4 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.802 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.858 0.361 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.9 p -121.98 142.92 36.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.109 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 48.6 mt -91.31 112.35 25.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.4 mtmp? -95.0 130.68 41.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.861 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 87.2 p -94.13 178.51 5.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.7 m -64.97 -179.15 0.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.829 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.6 p -102.22 121.23 41.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.105 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.426 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 3.3 p90 -120.35 140.47 51.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 89.3 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.82 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.1 mmmm . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.802 0.334 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.485 HD21 ' HZ2' ' A' ' 47' ' ' TRP . 53.5 tp -66.56 113.19 4.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 57.9 mmtt -111.41 164.98 12.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.485 ' HZ2' HD21 ' A' ' 45' ' ' LEU . 72.1 m95 -142.63 152.57 42.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 8.4 t -141.42 149.42 41.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 40.6 mt -106.0 136.21 46.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 25.3 mtt180 -113.27 104.65 12.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.901 HG22 HD13 ' A' ' 66' ' ' LEU . 77.9 t -105.33 142.4 18.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -132.33 102.35 14.27 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.676 0.75 . . . . 0.0 110.918 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 -27.18 27.02 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.73 2.286 . . . . 0.0 112.332 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -100.19 -12.32 19.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 80.61 -161.26 44.29 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.511 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 15.3 mt -113.62 -48.12 2.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.821 0.343 . . . . 0.0 110.932 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.44 156.87 43.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -39.64 -34.2 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -55.04 -58.66 6.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.476 ' HB2' ' CE ' ' A' ' 114' ' ' LYS . 9.4 t -94.21 38.9 1.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.423 ' CG ' ' N ' ' A' ' 62' ' ' ASP . 18.1 ptmt -84.72 -45.56 12.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.929 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.423 ' N ' ' CG ' ' A' ' 61' ' ' LYS . 1.6 m-20 -66.48 -38.3 86.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.442 ' CE2' ' CG ' ' A' ' 118' ' ' ARG . 4.9 m-85 -97.37 161.01 13.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.892 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.59 HD23 ' N ' ' A' ' 65' ' ' SER . 9.6 tt -90.99 155.95 18.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.951 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.59 ' N ' HD23 ' A' ' 64' ' ' LEU . 3.4 t -120.61 119.53 33.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.901 HD13 HG22 ' A' ' 51' ' ' VAL . 42.9 tp -127.04 116.76 21.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.862 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -124.47 147.46 48.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.701 HD22 ' HB3' ' A' ' 82' ' ' PHE . 22.4 tp -94.92 106.55 18.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.893 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.1 tp -99.97 137.45 38.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.832 HD21 ' HB3' ' A' ' 73' ' ' CYS . 7.3 tp -86.97 86.29 7.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.946 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.594 HG13 ' H ' ' A' ' 72' ' ' SER . 0.2 OUTLIER -38.25 -65.74 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 179.819 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.594 ' H ' HG13 ' A' ' 71' ' ' VAL . 3.9 m -144.46 146.28 32.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.839 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.832 ' HB3' HD21 ' A' ' 70' ' ' LEU . 31.1 p -138.44 143.16 37.38 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.619 0.724 . . . . 0.0 110.901 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -38.92 7.1 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.685 2.256 . . . . 0.0 112.342 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 76' ' ' SER . 24.5 pttt -105.15 146.45 29.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 75' ' ' LYS . 3.1 m -36.31 -69.41 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -112.88 154.54 26.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.5 p -145.52 144.47 21.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.13 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.786 ' O ' HG22 ' A' ' 144' ' ' VAL . 22.7 mtp180 -107.36 124.48 49.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.45 163.08 38.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.401 ' HG3' ' HB2' ' A' ' 102' ' ' ALA . 24.6 mttp -107.99 178.01 4.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.701 ' HB3' HD22 ' A' ' 68' ' ' LEU . 28.6 p90 -159.24 150.07 19.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -148.0 122.83 9.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -102.57 139.09 38.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.427 ' CB ' ' HB2' ' A' ' 96' ' ' ALA . 50.2 p -152.69 159.62 43.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.42 ' O ' ' N ' ' A' ' 94' ' ' THR . 18.7 mt -117.75 137.81 50.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.104 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.9 mt -100.99 106.09 17.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.944 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.634 ' ND2' ' H ' ' A' ' 92' ' ' GLU . 0.5 OUTLIER -59.68 -175.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.42 -32.0 47.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.24 14.92 3.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.88 25.25 52.32 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.512 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.634 ' H ' ' ND2' ' A' ' 88' ' ' ASN . 12.8 mt-10 -105.29 142.87 34.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.803 0.335 . . . . 0.0 110.893 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -58.45 139.33 55.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.432 HG21 ' CD2' ' A' ' 129' ' ' LEU . 2.3 t -159.12 138.26 11.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.139 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 49.9 mmtt 59.03 47.62 11.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.922 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.427 ' HB2' ' CB ' ' A' ' 85' ' ' SER . . . -96.45 167.06 11.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.105 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.477 ' CE ' ' CG ' ' A' ' 113' ' ' PHE . 8.9 mtm -136.87 130.17 31.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -96.88 161.5 13.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.469 ' OG ' ' CE1' ' A' ' 82' ' ' PHE . 16.0 m -100.83 158.55 15.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -75.91 -46.99 27.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.919 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.8 ptp85 -165.05 178.74 6.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.401 ' HB2' ' HG3' ' A' ' 81' ' ' LYS . . . -77.83 131.01 37.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -102.59 161.37 13.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.95 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 23.4 ttp180 -73.48 97.51 2.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.449 ' CZ ' HD23 ' A' ' 68' ' ' LEU . 19.2 m-85 -84.68 151.17 24.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.612 HG22 ' HB2' ' A' ' 109' ' ' LYS . 15.9 m -154.07 148.81 13.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.108 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -42.57 96.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.932 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 105.32 20.2 9.88 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.484 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.612 ' HB2' HG22 ' A' ' 106' ' ' VAL . 14.5 tptt -96.98 144.4 26.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.788 0.328 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.24 118.28 23.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 73.2 m95 -134.12 125.09 27.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 178.93 -141.07 4.73 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.526 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.477 ' CG ' ' CE ' ' A' ' 97' ' ' MET . 17.9 m-85 -127.75 159.01 36.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.941 0.401 . . . . 0.0 110.887 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.476 ' CE ' ' HB2' ' A' ' 60' ' ' SER . 64.9 tttt -88.77 -50.96 5.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.914 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.411 ' HD2' ' CD1' ' A' ' 63' ' ' TYR . 12.0 mmtp -104.99 95.11 5.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -83.33 -57.31 3.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.547 HG23 HD11 ' A' ' 122' ' ' LEU . 6.3 tp -155.53 151.14 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.499 ' N ' HG13 ' A' ' 117' ' ' ILE . 4.7 mtp180 -68.33 116.17 8.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.504 ' HA ' HD13 ' A' ' 122' ' ' LEU . 25.7 ttp85 -50.16 -38.46 39.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -62.32 -40.24 95.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.478 ' CZ ' ' CG ' ' A' ' 127' ' ' ASN . 58.1 t80 -57.46 -48.12 80.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.908 ' HA ' HD12 ' A' ' 129' ' ' LEU . 6.5 mp -53.77 -67.19 0.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.958 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.441 ' CD1' ' H ' ' A' ' 123' ' ' LEU . 4.6 mp -50.85 -36.43 37.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.95 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -43.17 144.76 0.61 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -84.86 -34.5 22.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -42.15 -43.66 3.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.478 ' CG ' ' CZ ' ' A' ' 121' ' ' PHE . 4.5 m-20 -87.55 -41.53 13.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 69.68 35.19 73.64 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.523 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.908 HD12 ' HA ' ' A' ' 122' ' ' LEU . 43.2 mt -65.17 -17.21 64.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.875 0.369 . . . . 0.0 110.904 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.416 HD23 ' O ' ' A' ' 129' ' ' LEU . 2.4 mt -132.65 80.07 62.81 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.61 0.719 . . . . 0.0 110.917 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -20.48 34.8 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.66 2.24 . . . . 0.0 112.37 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -124.48 27.42 6.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.878 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 59.03 25.17 13.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 11.7 ptpt -127.06 130.83 50.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.525 HD13 HD23 ' A' ' 122' ' ' LEU . 55.2 tp -95.35 128.79 42.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 97.5 m -107.04 98.36 8.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 9.1 mt -89.86 117.74 28.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.968 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . 0.499 ' CE1' ' HB2' ' A' ' 13' ' ' SER . 16.2 t80 -103.91 103.81 13.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 24.6 t -105.83 151.95 23.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -135.86 122.22 20.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.575 ' HB ' ' CZ ' ' A' ' 12' ' ' PHE . 25.7 t -109.96 142.67 21.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.125 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . 0.5 ' CB ' ' HG2' ' A' ' 11' ' ' LYS . 0.9 OUTLIER -126.21 113.47 17.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.888 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 46.8 t -93.84 117.8 38.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.132 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.786 HG22 ' O ' ' A' ' 79' ' ' ARG . 34.9 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.191 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.509 ' O ' HG13 ' A' ' 9' ' ' VAL . 7.3 p . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.893 0.378 . . . . 0.0 111.121 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 87.1 t -96.35 103.67 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.13 164.71 12.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -151.1 141.03 21.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 83.0 p -109.16 130.25 55.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.721 ' CD2' ' CD2' ' A' ' 37' ' ' PHE . 34.5 t80 -125.59 118.74 26.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.943 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 37.4 ttm -93.26 115.94 28.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 9.6 t90 -115.15 101.98 9.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.4 m -93.6 115.25 27.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 30.7 mt -91.8 99.62 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.172 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.552 ' ND2' ' H ' ' A' ' 19' ' ' ASN . 0.4 OUTLIER -67.56 138.21 56.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.4 m120 64.31 43.88 4.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -54.07 -30.36 47.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.5 t . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.771 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.496 ' O ' ' ND2' ' A' ' 52' ' ' ASN . 21.5 mt-10 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.873 0.368 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.872 HG23 ' OD1' ' A' ' 52' ' ' ASN . 7.7 p -131.74 152.48 37.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.9 mt -104.41 101.57 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.09 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.0 mtmp? -88.46 121.3 30.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 83.9 p -87.74 163.16 16.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.7 m -49.03 176.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 24.7 p -90.45 124.13 34.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.167 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.721 ' CD2' ' CD2' ' A' ' 14' ' ' TYR . 22.9 p90 -119.88 137.66 53.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 72.7 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.823 -179.795 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.6 mmtt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.821 0.344 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.81 HD22 ' NE1' ' A' ' 47' ' ' TRP . 3.0 tt -92.39 129.98 38.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.484 ' N ' HD23 ' A' ' 45' ' ' LEU . 44.5 mmtm -120.27 160.01 23.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.81 ' NE1' HD22 ' A' ' 45' ' ' LEU . 73.0 m95 -138.49 155.3 48.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.938 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.445 ' SG ' HD23 ' A' ' 69' ' ' LEU . 31.0 p -144.08 161.2 39.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' ' 49' ' ' LEU . 11.1 mt -117.53 137.55 52.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.412 ' HE ' HG21 ' A' ' 31' ' ' VAL . 26.0 mtp180 -114.0 109.24 18.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.727 HG22 HD13 ' A' ' 66' ' ' LEU . 44.4 t -111.8 142.18 24.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.872 ' OD1' HG23 ' A' ' 31' ' ' VAL . 6.0 m120 -134.82 101.71 11.54 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.585 0.707 . . . . 0.0 110.904 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.476 ' HA ' ' CD2' ' A' ' 64' ' ' LEU . 53.8 Cg_endo -69.76 -12.22 32.45 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.637 2.225 . . . . 0.0 112.37 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.6 mtpt -114.91 11.85 16.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 59.01 176.38 0.78 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -81.11 -36.77 29.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.761 0.315 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.481 ' CG ' ' N ' ' A' ' 58' ' ' GLU . 14.5 t70 -147.57 171.6 15.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.843 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.481 ' N ' ' CG ' ' A' ' 57' ' ' ASP . 51.2 mt-10 -52.56 -16.46 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 60.0 tt0 -61.4 -61.03 2.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.866 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 27.5 t -106.77 41.37 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.865 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.9 ptmm? -75.23 -30.77 60.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.866 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -77.52 -34.85 53.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.549 ' CD1' ' HG2' ' A' ' 118' ' ' ARG . 8.1 m-85 -92.4 160.24 15.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.476 ' CD2' ' HA ' ' A' ' 53' ' ' PRO . 3.2 tm? -88.99 124.3 34.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.958 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.4 m -96.19 129.87 43.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.727 HD13 HG22 ' A' ' 51' ' ' VAL . 33.4 tp -138.39 131.24 29.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -134.82 152.44 51.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.694 ' C ' HD13 ' A' ' 68' ' ' LEU . 1.5 tm? -101.19 111.55 23.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.931 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.618 HD12 ' O ' ' A' ' 109' ' ' LYS . 8.7 tp -101.88 154.83 18.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.705 HD21 ' HB3' ' A' ' 73' ' ' CYS . 39.9 tp -104.27 82.45 1.95 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.905 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.608 HG13 ' H ' ' A' ' 72' ' ' SER . 1.4 p -35.1 -57.87 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.608 ' H ' HG13 ' A' ' 71' ' ' VAL . 12.2 t -155.51 152.12 28.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.705 ' HB3' HD21 ' A' ' 70' ' ' LEU . 16.8 p -142.13 144.88 33.44 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.655 0.74 . . . . 0.0 110.866 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.471 ' CD ' ' HG ' ' A' ' 45' ' ' LEU . 53.9 Cg_endo -69.74 -50.91 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.745 2.297 . . . . 0.0 112.324 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.7 pttm -90.9 164.7 13.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 20.4 m -42.7 -60.04 1.71 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -134.95 159.4 41.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.844 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.7 p -139.75 140.34 36.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.159 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.415 ' O ' HG22 ' A' ' 144' ' ' VAL . 15.6 mtp180 -107.89 128.8 54.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.851 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.72 157.69 33.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.123 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 29.9 mttp -102.43 131.34 49.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -113.19 147.67 36.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.3 tmmm? -140.57 127.34 20.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.937 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -105.83 137.67 43.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 44.2 p -150.88 156.69 41.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.619 HD11 HG21 ' A' ' 117' ' ' ILE . 37.8 mt -114.96 127.22 72.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.101 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.423 HD21 ' HG3' ' A' ' 93' ' ' GLU . 6.3 mt -89.87 114.11 25.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.956 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.445 ' C ' ' OD1' ' A' ' 88' ' ' ASN . 33.2 p30 -64.71 -176.3 0.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.0 -36.3 60.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.077 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.442 ' N ' ' OD1' ' A' ' 88' ' ' ASN . 0.1 OUTLIER -86.66 21.39 2.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.913 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 55.21 31.12 56.21 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -102.68 134.98 45.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.805 0.335 . . . . 0.0 110.862 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.423 ' HG3' HD21 ' A' ' 87' ' ' LEU . 13.8 mt-10 -62.13 132.29 52.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.422 HG21 ' CD2' ' A' ' 129' ' ' LEU . 6.1 t -153.62 143.28 21.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.177 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.427 ' HG3' ' CD1' ' A' ' 117' ' ' ILE . 58.3 mmtt 60.22 50.13 6.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.928 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -99.96 161.47 13.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.11 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.428 ' CE ' ' CD2' ' A' ' 113' ' ' PHE . 15.4 mtm -133.6 130.62 38.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -106.25 168.39 9.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.843 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 9.2 t -113.82 160.23 18.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.95 -23.09 27.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.6 ttp-105 -164.47 168.84 17.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.14 165.07 25.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.099 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -125.22 154.37 41.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -70.98 103.48 2.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.561 ' CE1' HD12 ' A' ' 68' ' ' LEU . 17.1 m-85 -94.97 114.82 26.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.59 HG22 ' HB2' ' A' ' 109' ' ' LYS . 16.2 m -121.8 158.44 25.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.162 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -45.9 105.5 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 89.64 28.71 18.28 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.462 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.618 ' O ' HD12 ' A' ' 69' ' ' LEU . 19.8 tptt -102.37 140.93 36.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.825 0.345 . . . . 0.0 110.853 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -123.47 124.33 42.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -138.64 124.93 20.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 178.68 -159.15 24.09 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.484 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.428 ' CD2' ' CE ' ' A' ' 97' ' ' MET . 21.9 m-85 -113.28 150.67 32.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.951 0.405 . . . . 0.0 110.85 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 29.8 tttt -76.78 -56.86 4.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 34.7 mttm -102.63 101.88 12.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -83.87 -51.0 7.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.619 HG21 HD11 ' A' ' 86' ' ' ILE . 3.0 tt -171.13 143.19 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.128 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.549 ' HG2' ' CD1' ' A' ' 63' ' ' TYR . 13.3 mtt180 -48.6 118.16 2.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.74 ' HA ' HD13 ' A' ' 122' ' ' LEU . 26.3 ttp85 -52.46 -39.22 60.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.4 -43.5 98.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.61 ' CD2' HD11 ' A' ' 117' ' ' ILE . 65.4 t80 -53.28 -21.61 5.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.756 ' HA ' HD12 ' A' ' 129' ' ' LEU . 6.4 mp -82.03 -59.62 2.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.707 HD13 HD12 ' A' ' 130' ' ' LEU . 2.6 mm? -59.57 -32.8 70.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.916 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -46.35 153.4 0.35 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.871 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -93.21 -33.17 14.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.832 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -41.73 -42.94 2.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.083 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' A' ' 121' ' ' PHE . 0.7 OUTLIER -88.47 -40.4 13.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 72.32 42.03 50.91 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.468 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.756 HD12 ' HA ' ' A' ' 122' ' ' LEU . 69.8 mt -77.18 -25.12 51.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.842 0.353 . . . . 0.0 110.893 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.707 HD12 HD13 ' A' ' 123' ' ' LEU . 6.4 mt -127.01 79.26 73.22 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.613 0.72 . . . . 0.0 110.912 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -32.41 18.42 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.733 2.289 . . . . 0.0 112.301 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -113.87 27.28 9.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.83 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 57.7 36.6 26.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 8.3 ptpt -133.08 127.19 33.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.631 HD13 HD23 ' A' ' 122' ' ' LEU . 64.5 tp -90.9 114.36 26.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 58.3 m -96.07 95.04 7.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.151 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 7.9 mt -87.75 121.14 29.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -106.6 111.21 23.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' CYS . . . . . 0.411 ' HB2' HD11 ' A' ' 49' ' ' LEU . 18.7 t -110.09 152.49 25.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.884 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -140.75 111.84 7.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 45.6 t -104.74 131.35 54.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -118.22 117.19 28.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 54.3 t -90.62 121.94 41.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 144' ' ' VAL . 32.8 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.9 0.381 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 73.2 t -93.07 108.54 20.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.7 159.33 23.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -151.59 143.63 23.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.537 ' HB2' ' CE1' ' A' ' 138' ' ' PHE . 91.5 p -107.16 131.67 53.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -122.02 105.73 10.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.92 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.1 ttp -87.45 105.42 17.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.865 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.556 ' CZ3' ' HB3' ' A' ' 34' ' ' SER . 8.0 t90 -105.15 112.33 25.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 35.7 m -101.81 132.34 47.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.163 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 32.3 mt -111.2 101.45 12.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.691 ' ND2' ' H ' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -67.6 134.53 51.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.912 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 68.39 48.98 0.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -59.69 -33.85 72.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.6 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.794 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.876 0.369 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.428 HG22 ' N ' ' A' ' 32' ' ' ILE . 8.8 p -129.03 154.74 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.127 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.428 ' N ' HG22 ' A' ' 31' ' ' VAL . 96.3 mt -100.25 103.28 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.114 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.8 mtmt -84.23 131.74 34.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.556 ' HB3' ' CZ3' ' A' ' 16' ' ' TRP . 77.7 p -94.55 166.91 11.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.842 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.6 m -59.45 170.96 0.89 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.1 p -89.31 120.67 30.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.138 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 12.3 p90 -111.41 154.29 24.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 79.9 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.787 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.5 mmmt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.819 0.343 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.541 HD22 ' NE1' ' A' ' 47' ' ' TRP . 1.6 tt -63.43 126.95 29.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.943 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.3 mmtp -115.34 165.26 13.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.541 ' NE1' HD22 ' A' ' 45' ' ' LEU . 78.4 m95 -141.62 155.36 45.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.947 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 17.4 t -146.89 153.2 39.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 73.9 mt -113.18 131.93 55.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.949 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -105.83 105.8 16.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.757 HG22 HD13 ' A' ' 66' ' ' LEU . 82.5 t -107.27 135.87 44.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.137 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.625 ' O ' HD22 ' A' ' 64' ' ' LEU . 65.7 m-80 -127.18 101.5 25.3 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.635 0.731 . . . . 0.0 110.868 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.472 ' HA ' ' CD2' ' A' ' 64' ' ' LEU . 53.8 Cg_endo -69.69 -47.25 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.656 2.237 . . . . 0.0 112.349 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.2 tttp -84.84 35.42 0.57 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 45.21 -167.68 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.441 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 15.7 mt -119.53 -51.35 2.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.798 0.333 . . . . 0.0 110.904 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 59' ' ' GLU . 0.7 OUTLIER -130.97 154.44 48.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.868 179.854 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -37.09 -30.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 57' ' ' ASP . 21.5 tp10 -55.11 -52.66 62.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 57.2 p -119.46 44.21 2.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.6 ptmm? -67.68 -38.86 84.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -99.61 36.06 1.86 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -142.27 149.19 39.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.625 HD22 ' O ' ' A' ' 52' ' ' ASN . 2.0 tm? -88.69 124.93 34.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.2 t -105.79 122.75 46.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.757 HD13 HG22 ' A' ' 51' ' ' VAL . 36.5 tp -130.51 113.73 14.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.926 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.586 ' CD2' ' N ' ' A' ' 112' ' ' GLY . 25.8 m-85 -118.61 150.67 39.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.552 ' C ' HD13 ' A' ' 68' ' ' LEU . 0.9 OUTLIER -91.58 102.81 15.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.6 tp -96.21 137.99 34.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.62 HD21 ' HB3' ' A' ' 73' ' ' CYS . 24.9 tp -93.4 83.39 4.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.504 HG13 ' H ' ' A' ' 72' ' ' SER . 0.2 OUTLIER -36.06 -61.51 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 179.818 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.504 ' H ' HG13 ' A' ' 71' ' ' VAL . 3.4 m -148.83 159.15 44.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.62 ' HB3' HD21 ' A' ' 70' ' ' LEU . 31.8 p -150.09 143.54 16.7 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.605 0.717 . . . . 0.0 110.869 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -48.95 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.64 2.227 . . . . 0.0 112.357 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.5 pttm -92.36 154.98 18.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 69.2 m -39.87 -59.06 1.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -128.75 154.15 46.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.6 p -141.59 142.77 28.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.093 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.424 ' O ' HG22 ' A' ' 144' ' ' VAL . 27.7 mtp180 -110.53 135.2 51.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -160.16 159.86 32.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.669 ' HG3' ' HB2' ' A' ' 102' ' ' ALA . 47.7 mttt -104.56 121.48 43.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -109.41 144.66 37.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.838 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.9 tmmm? -140.33 137.34 34.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -112.25 147.61 35.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 28.5 p -159.69 161.76 34.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.486 ' O ' HG22 ' A' ' 94' ' ' THR . 36.5 mt -125.32 128.22 72.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.115 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.9 mt -90.51 110.72 21.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.588 ' ND2' ' H ' ' A' ' 92' ' ' GLU . 0.8 OUTLIER -66.35 -173.99 0.24 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -52.29 -37.32 55.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -82.5 14.68 2.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.65 26.06 52.33 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.478 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.588 ' H ' ' ND2' ' A' ' 88' ' ' ASN . 23.1 mm-40 -102.3 134.06 46.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.829 0.347 . . . . 0.0 110.899 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -54.19 130.42 38.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.486 HG22 ' O ' ' A' ' 86' ' ' ILE . 5.4 t -148.02 156.31 42.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 45.69 45.67 11.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.887 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -91.89 165.22 13.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.093 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.482 ' CE ' ' CG ' ' A' ' 113' ' ' PHE . 16.4 mtm -140.86 125.06 17.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -107.7 152.15 24.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 37.8 p -96.73 160.07 14.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 14.9 tm0? -67.37 -43.98 80.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 31.1 mtm180 -158.69 176.64 12.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.669 ' HB2' ' HG3' ' A' ' 81' ' ' LYS . . . -69.78 149.78 47.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -113.06 173.6 6.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -85.28 98.44 10.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.463 ' HB3' HD22 ' A' ' 70' ' ' LEU . 14.1 m-85 -89.1 131.31 35.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.567 HG22 ' HB2' ' A' ' 109' ' ' LYS . 19.2 m -139.52 157.19 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.105 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -45.38 104.42 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.93 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 91.47 28.37 14.79 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.482 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.567 ' HB2' HG22 ' A' ' 106' ' ' VAL . 15.9 tptt -103.2 128.86 50.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.807 0.337 . . . . 0.0 110.944 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -113.85 124.64 52.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.465 ' CD1' ' HG3' ' A' ' 109' ' ' LYS . 89.9 m95 -137.07 118.12 14.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.969 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.586 ' N ' ' CD2' ' A' ' 67' ' ' TYR . . . -176.81 -152.87 10.16 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.49 ' O ' ' CE1' ' A' ' 67' ' ' TYR . 8.2 m-85 -123.77 151.39 43.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.95 0.405 . . . . 0.0 110.877 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 31.8 tttt -75.76 -56.89 4.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 62.7 mttt -100.3 92.83 5.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -82.25 -46.07 14.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.485 HG13 ' N ' ' A' ' 118' ' ' ARG . 7.2 tp -159.64 152.85 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.181 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.485 ' N ' HG13 ' A' ' 117' ' ' ILE . 11.2 mtt85 -74.16 108.64 7.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.472 ' HA ' HD13 ' A' ' 122' ' ' LEU . 31.7 ttt180 -40.68 -43.44 1.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -60.26 -41.31 92.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.593 ' CZ ' ' OD1' ' A' ' 127' ' ' ASN . 33.2 t80 -54.98 -44.97 74.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.573 ' H ' HD12 ' A' ' 122' ' ' LEU . 6.2 mp -58.48 -62.0 2.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.931 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 7.3 mt -55.65 -36.14 66.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -42.19 145.31 0.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -82.01 -32.05 30.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -47.72 -42.74 25.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.095 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.593 ' OD1' ' CZ ' ' A' ' 121' ' ' PHE . 15.3 m-80 -91.63 -43.21 9.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 65.71 31.63 80.5 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.475 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.552 HD13 ' HB3' ' A' ' 127' ' ' ASN . 1.6 mp -57.13 -26.61 60.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.846 0.355 . . . . 0.0 110.887 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 6.6 mt -123.22 81.77 52.02 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.632 0.73 . . . . 0.0 110.948 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -31.42 20.48 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.625 2.217 . . . . 0.0 112.384 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -114.11 27.38 9.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 57.96 31.18 20.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 4.2 ptpt -130.61 131.45 44.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 59.5 tp -95.05 121.06 36.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 88.0 m -100.67 98.9 9.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 10.3 mt -89.54 116.0 27.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.948 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . 0.537 ' CE1' ' HB2' ' A' ' 13' ' ' SER . 4.5 t80 -103.17 102.4 12.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 32.0 t -105.08 145.14 30.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -128.61 115.21 17.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 65.0 t -105.64 134.58 46.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.164 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 16.1 m -124.71 110.63 14.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 59.6 t -86.9 125.11 40.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.167 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 144' ' ' VAL . 35.3 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.101 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.9 p . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.862 0.363 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 89.7 t -100.17 112.35 32.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.89 164.39 17.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.433 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 1.7 p90 -150.55 145.26 25.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.894 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.565 ' HB2' ' CE1' ' A' ' 138' ' ' PHE . 89.4 p -108.59 126.87 53.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.701 ' CD2' ' CD1' ' A' ' 37' ' ' PHE . 22.6 t80 -119.95 111.49 17.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 35.3 ttm -87.17 115.85 24.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.862 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.471 ' HZ3' HG23 ' A' ' 51' ' ' VAL . 12.8 t90 -116.99 107.7 14.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.918 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.2 m -98.53 124.15 43.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.112 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 33.7 mt -101.53 98.45 6.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.539 ' ND2' ' H ' ' A' ' 19' ' ' ASN . 0.5 OUTLIER -67.48 132.01 46.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 69.15 43.68 1.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.842 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -55.45 -35.34 65.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 72.4 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 -179.772 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.921 0.391 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.616 HG21 ' HE ' ' A' ' 50' ' ' ARG . 10.0 p -144.65 145.48 21.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.082 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 19.9 mt -93.61 120.48 43.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.22 130.63 47.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.8 p -93.68 170.82 9.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.48 -174.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 55.0 p -107.81 125.3 51.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.186 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.701 ' CD1' ' CD2' ' A' ' 14' ' ' TYR . 5.4 p90 -117.77 144.65 45.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 95.3 p . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 -179.815 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.811 0.339 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.517 HD21 ' HZ2' ' A' ' 47' ' ' TRP . 19.6 tp -73.73 115.68 13.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 36.4 mmtm -114.18 161.28 18.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.517 ' HZ2' HD21 ' A' ' 45' ' ' LEU . 63.6 m95 -138.24 154.09 49.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.925 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 12.3 t -141.56 149.2 40.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 43.2 mt -105.28 136.41 44.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.616 ' HE ' HG21 ' A' ' 31' ' ' VAL . 17.8 mtp180 -111.66 109.39 19.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.476 HG22 HD13 ' A' ' 66' ' ' LEU . 61.5 t -105.75 143.44 16.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.426 ' HA ' ' HD2' ' A' ' 53' ' ' PRO . 1.0 OUTLIER -134.68 102.83 11.25 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.606 0.717 . . . . 0.0 110.863 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.582 ' HA ' HD12 ' A' ' 64' ' ' LEU . 53.3 Cg_endo -69.75 -46.34 1.27 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.693 2.262 . . . . 0.0 112.317 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.4 tttm -83.56 -13.75 53.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.99 148.55 4.32 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.464 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 31.8 mt -51.5 -46.39 63.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.781 0.324 . . . . 0.0 110.877 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -146.09 163.31 35.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -46.75 -21.77 0.23 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -51.59 -52.55 46.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -117.48 50.74 1.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.1 ptmm? -82.86 -36.05 25.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.952 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -62.01 -50.48 71.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.453 ' CD1' ' CG ' ' A' ' 115' ' ' LYS . 0.3 OUTLIER -95.73 166.58 11.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.947 -179.875 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.582 HD12 ' HA ' ' A' ' 53' ' ' PRO . 4.0 tp -89.03 142.54 27.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 28.6 t -109.21 102.95 11.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.805 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.565 HD21 ' CD1' ' A' ' 84' ' ' PHE . 34.3 tp -108.06 139.11 43.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.921 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.474 ' CD2' ' N ' ' A' ' 112' ' ' GLY . 37.7 m-85 -144.53 153.05 41.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.697 HD22 ' HB3' ' A' ' 82' ' ' PHE . 41.1 tp -97.83 105.26 17.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.93 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.8 tp -93.79 135.77 34.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.825 HD21 ' HB3' ' A' ' 73' ' ' CYS . 53.5 tp -89.47 87.0 6.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.945 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.575 HG13 ' H ' ' A' ' 72' ' ' SER . 0.2 OUTLIER -40.84 -63.78 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.853 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.575 ' H ' HG13 ' A' ' 71' ' ' VAL . 3.3 m -146.65 142.87 28.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.825 ' HB3' HD21 ' A' ' 70' ' ' LEU . 28.2 p -134.38 140.18 35.03 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.598 0.713 . . . . 0.0 110.93 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -36.27 11.07 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.682 2.255 . . . . 0.0 112.352 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.8 pttm -105.78 152.32 23.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.2 m -39.68 -57.25 1.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.826 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -128.97 155.83 44.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.4 p -145.35 136.96 20.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.104 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.864 ' O ' HG22 ' A' ' 144' ' ' VAL . 22.6 mtt-85 -106.01 133.11 51.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.422 ' HB1' ' O ' ' A' ' 142' ' ' SER . . . -159.35 155.98 27.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.145 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.417 ' HG3' ' HB2' ' A' ' 102' ' ' ALA . 55.1 mttt -101.83 125.01 48.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.697 ' HB3' HD22 ' A' ' 68' ' ' LEU . 44.0 p90 -110.46 153.6 24.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.1 tmmm? -146.8 126.83 13.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.565 ' CD1' HD21 ' A' ' 66' ' ' LEU . 31.5 m-85 -103.76 153.37 20.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.407 ' CB ' ' HB2' ' A' ' 96' ' ' ALA . 62.7 p -165.71 160.01 16.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 18.3 mt -119.67 127.57 75.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.1 mt -90.99 109.8 21.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.947 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' A' ' 90' ' ' LYS . 26.1 p30 -57.66 -176.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.15 -32.43 64.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.071 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.453 ' N ' ' OD1' ' A' ' 88' ' ' ASN . 3.5 mptt -88.01 20.24 3.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.942 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 55.48 33.15 58.53 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.459 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -108.6 135.84 49.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.809 0.338 . . . . 0.0 110.846 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -57.29 137.66 55.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.7 t -161.6 143.47 11.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.125 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 42.2 mmtt 56.65 45.15 22.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.407 ' HB2' ' CB ' ' A' ' 85' ' ' SER . . . -94.6 167.16 11.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.103 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.428 ' HE3' ' CG ' ' A' ' 113' ' ' PHE . 13.7 mtm -141.21 118.85 11.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -92.75 161.68 14.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.837 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 85.7 p -104.15 158.36 16.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -81.27 -72.4 0.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.93 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 5.9 mpt_? -122.45 156.33 34.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.417 ' HB2' ' HG3' ' A' ' 81' ' ' LYS . . . -64.95 144.72 57.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.071 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -107.97 165.41 11.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 18.7 ttm180 -85.42 103.46 14.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.855 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.576 ' CE1' ' HB2' ' A' ' 111' ' ' TRP . 44.8 m-85 -91.52 151.63 20.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.686 ' C ' HD23 ' A' ' 70' ' ' LEU . 29.4 m -151.89 165.07 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.122 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -52.17 106.01 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 91.49 22.56 31.25 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.543 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.508 ' HB2' HG22 ' A' ' 106' ' ' VAL . 11.4 tptt -95.57 150.62 20.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.824 0.345 . . . . 0.0 110.89 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -135.05 121.24 20.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.576 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 81.9 m95 -137.07 128.8 28.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.474 ' N ' ' CD2' ' A' ' 67' ' ' TYR . . . 177.81 -142.07 5.46 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.521 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.428 ' CG ' ' HE3' ' A' ' 97' ' ' MET . 21.1 m-85 -127.23 151.24 48.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.915 0.388 . . . . 0.0 110.87 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 34.0 tttt -81.75 -56.43 4.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.453 ' CG ' ' CD1' ' A' ' 63' ' ' TYR . 0.3 OUTLIER -96.34 94.88 7.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.882 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -83.38 -50.79 7.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.857 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.592 HG21 HD21 ' A' ' 122' ' ' LEU . 4.1 tt -170.82 148.59 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 19.9 mtm180 -60.69 114.21 2.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.759 ' HA ' HD12 ' A' ' 122' ' ' LEU . 20.6 ttt180 -52.98 -39.17 62.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.01 -26.5 66.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.453 ' CZ ' ' HB3' ' A' ' 127' ' ' ASN . 71.5 t80 -77.76 -39.35 44.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.759 HD12 ' HA ' ' A' ' 119' ' ' ARG . 9.1 mt -58.46 -48.57 80.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.95 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.425 ' N ' HD12 ' A' ' 123' ' ' LEU . 6.2 mp -70.1 -41.83 73.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 123' ' ' LEU . 1.4 t70 -37.91 152.51 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -92.21 -31.76 15.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -40.5 -48.1 2.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.086 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.453 ' HB3' ' CZ ' ' A' ' 121' ' ' PHE . 2.1 p30 -84.95 -38.56 19.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 71.38 34.26 63.92 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.453 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.651 ' O ' HD23 ' A' ' 130' ' ' LEU . 69.9 mt -68.17 -18.19 64.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.857 0.36 . . . . 0.0 110.908 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.651 HD23 ' O ' ' A' ' 129' ' ' LEU . 12.5 mt -134.61 80.68 50.0 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.61 0.719 . . . . 0.0 110.949 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -17.69 37.56 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.664 2.243 . . . . 0.0 112.331 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -130.47 28.37 4.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 56.39 31.31 18.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 8.4 ptpt -127.31 122.69 34.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.831 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 47.1 tp -90.57 117.1 28.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.914 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 85.0 m -95.89 96.88 9.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 11.7 mt -87.71 111.06 20.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . 0.565 ' CE1' ' HB2' ' A' ' 13' ' ' SER . 6.7 t80 -98.56 106.33 18.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 38.1 t -110.67 154.15 24.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -139.77 117.24 11.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 46.4 t -103.19 131.78 50.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.132 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . 0.422 ' O ' ' HB1' ' A' ' 80' ' ' ALA . 21.1 m -117.65 110.55 18.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.82 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 89.3 t -83.82 121.76 36.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.158 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.864 HG22 ' O ' ' A' ' 79' ' ' ARG . 27.9 m . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.115 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.9 p . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.844 0.354 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 76.8 t -91.32 101.01 12.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.95 165.66 12.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -153.45 142.96 21.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.843 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.579 ' HB2' ' CE1' ' A' ' 138' ' ' PHE . 61.6 p -107.38 130.92 54.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.549 ' CD2' ' CD2' ' A' ' 37' ' ' PHE . 27.8 t80 -125.94 111.66 15.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 31.6 ttm -88.88 118.02 28.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 8.6 t90 -118.52 99.47 6.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.407 HG21 ' HD3' ' A' ' 134' ' ' LYS . 52.2 m -89.73 112.91 24.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 47.6 mt -87.8 98.92 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.118 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.92 131.52 45.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 73.87 45.96 0.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -54.2 -40.02 67.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.6 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.765 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.924 0.392 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.491 HG21 ' HB3' ' A' ' 50' ' ' ARG . 12.7 p -149.31 142.23 17.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.068 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 18.4 mt -95.05 103.17 14.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.137 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.42 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 25.3 mtmm -88.1 113.9 24.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 85.3 p -73.46 166.03 23.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.81 -174.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.892 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 44.9 p -95.18 137.31 34.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.155 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.549 ' CD2' ' CD2' ' A' ' 14' ' ' TYR . 19.6 p90 -132.86 145.33 50.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 93.1 p . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.764 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.5 mmmm . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.816 0.341 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.52 HD13 ' HD2' ' A' ' 74' ' ' PRO . 46.1 tp -72.85 127.54 32.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.933 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.0 mmtp -126.09 159.5 32.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.519 ' CZ3' HD13 ' A' ' 70' ' ' LEU . 74.6 m95 -142.05 151.81 42.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.943 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 32.1 p -138.22 167.28 22.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.41 HD22 HD11 ' A' ' 66' ' ' LEU . 19.3 mt -121.16 135.68 55.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.491 ' HB3' HG21 ' A' ' 31' ' ' VAL . 24.2 mtp180 -114.11 108.7 17.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.1 t -108.49 138.34 35.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.66 ' O ' HD22 ' A' ' 64' ' ' LEU . 0.8 OUTLIER -125.67 101.75 29.83 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.652 0.739 . . . . 0.0 110.846 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.486 ' HA ' HD23 ' A' ' 64' ' ' LEU . 54.5 Cg_endo -69.71 -5.41 16.1 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.712 2.275 . . . . 0.0 112.384 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.4 mttp -129.5 8.13 5.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 65.15 -174.17 17.15 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.477 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.441 HD22 ' N ' ' A' ' 56' ' ' LEU . 3.7 mm? -88.0 -35.75 17.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.803 0.335 . . . . 0.0 110.902 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.492 ' CG ' ' N ' ' A' ' 58' ' ' GLU . 14.6 t70 -144.32 171.57 14.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.492 ' N ' ' CG ' ' A' ' 57' ' ' ASP . 70.3 mt-10 -50.8 -17.57 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -63.61 -62.96 1.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.93 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 34.3 t -101.11 39.9 1.35 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.855 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.5 ptmm? -78.54 -33.79 47.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.521 ' OD1' ' CD2' ' A' ' 63' ' ' TYR . 0.5 OUTLIER -76.18 -35.65 59.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 179.847 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.521 ' CD2' ' OD1' ' A' ' 62' ' ' ASP . 8.1 m-85 -90.71 162.57 14.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.66 HD22 ' O ' ' A' ' 52' ' ' ASN . 3.2 tm? -95.24 128.13 41.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.978 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.582 ' N ' HD13 ' A' ' 64' ' ' LEU . 16.0 t -104.05 123.17 46.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.754 HD21 ' CD1' ' A' ' 84' ' ' PHE . 3.1 tp -129.9 113.59 14.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.956 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -112.4 165.67 11.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.919 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.528 HD22 ' HB3' ' A' ' 82' ' ' PHE . 28.0 tp -115.02 100.29 8.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.899 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.846 HD12 ' O ' ' A' ' 109' ' ' LYS . 6.1 tp -92.39 147.38 22.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.813 HD21 ' HB3' ' A' ' 73' ' ' CYS . 43.5 tp -95.29 83.0 3.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.654 HG13 ' H ' ' A' ' 72' ' ' SER . 0.6 OUTLIER -35.61 -64.57 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.153 179.861 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.654 ' H ' HG13 ' A' ' 71' ' ' VAL . 19.4 m -145.57 148.94 33.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.813 ' HB3' HD21 ' A' ' 70' ' ' LEU . 28.5 p -140.35 143.18 32.27 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.626 0.727 . . . . 0.0 110.854 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.52 ' HD2' HD13 ' A' ' 45' ' ' LEU . 54.0 Cg_endo -69.74 -50.72 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.644 2.229 . . . . 0.0 112.382 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 76' ' ' SER . 13.9 pttm -93.5 157.19 16.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 75' ' ' LYS . 47.9 m -37.3 -73.5 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -119.55 152.5 36.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.402 HG12 ' O ' ' A' ' 105' ' ' PHE . 2.7 p -140.92 135.81 33.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.114 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.43 ' O ' HG22 ' A' ' 144' ' ' VAL . 22.3 mtt180 -99.01 135.94 39.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -161.35 161.36 30.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.075 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.458 ' HG3' ' HB2' ' A' ' 102' ' ' ALA . 28.3 mttp -101.87 171.89 7.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.528 ' HB3' HD22 ' A' ' 68' ' ' LEU . 26.0 p90 -152.01 141.8 21.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -142.21 115.9 9.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.754 ' CD1' HD21 ' A' ' 66' ' ' LEU . 36.7 m-85 -98.03 146.64 25.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 31.6 p -158.46 156.43 30.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.407 ' O ' ' N ' ' A' ' 94' ' ' THR . 24.3 mt -116.39 135.55 56.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.16 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.483 HD13 ' O ' ' A' ' 91' ' ' GLY . 4.4 mt -100.46 106.69 18.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.659 ' ND2' ' H ' ' A' ' 92' ' ' GLU . 0.6 OUTLIER -57.56 -174.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 179.921 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.81 -33.14 64.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.487 ' HE2' ' N ' ' A' ' 90' ' ' LYS . 0.6 OUTLIER -80.17 2.42 24.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.483 ' O ' HD13 ' A' ' 87' ' ' LEU . . . 70.72 17.67 75.21 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.473 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.659 ' H ' ' ND2' ' A' ' 88' ' ' ASN . 18.3 mm-40 -97.26 144.49 27.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.802 0.334 . . . . 0.0 110.921 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -60.31 136.61 58.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.451 HG21 ' CD2' ' A' ' 129' ' ' LEU . 5.1 t -155.57 140.84 17.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 25.4 mmtt 55.1 50.35 15.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -98.03 165.85 11.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.064 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.544 ' CE ' ' CG ' ' A' ' 113' ' ' PHE . 11.3 mtm -139.95 129.16 23.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -97.55 157.63 15.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 44.6 t -94.26 151.95 19.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.821 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -72.19 -63.88 1.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.936 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.475 ' O ' ' CE1' ' A' ' 103' ' ' TYR . 6.6 tpt180 -147.48 140.48 25.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.458 ' HB2' ' HG3' ' A' ' 81' ' ' LYS . . . -40.96 152.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.475 ' CE1' ' O ' ' A' ' 101' ' ' ARG . 52.1 m-85 -124.88 172.5 9.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.919 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 26.3 ttp180 -80.19 112.89 17.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.537 ' CZ ' ' HB2' ' A' ' 111' ' ' TRP . 23.9 m-85 -108.65 110.3 21.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.404 ' C ' HD23 ' A' ' 70' ' ' LEU . 1.7 m -120.4 160.3 21.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.19 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -47.69 99.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 104.25 26.96 6.37 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.449 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.846 ' O ' HD12 ' A' ' 69' ' ' LEU . 21.6 tptt -110.52 160.24 16.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.788 0.328 . . . . 0.0 110.879 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' A' ' 68' ' ' LEU . 8.4 t0 -148.63 134.47 18.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.537 ' HB2' ' CZ ' ' A' ' 105' ' ' PHE . 94.6 m95 -145.61 129.21 17.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -177.6 -133.38 1.84 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.473 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.544 ' CG ' ' CE ' ' A' ' 97' ' ' MET . 76.0 m-85 -133.31 149.65 51.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.877 0.37 . . . . 0.0 110.891 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 38.2 tttt -79.09 -52.43 8.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.466 ' HG2' ' CD2' ' A' ' 63' ' ' TYR . 56.9 mttt -112.03 101.39 9.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.401 ' HB3' ' O ' ' A' ' 64' ' ' LEU . 14.9 t80 -81.17 -51.68 8.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.836 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.523 ' CG2' HD21 ' A' ' 122' ' ' LEU . 3.6 tt -169.87 148.9 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.116 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 36.8 mtt-85 -57.71 112.06 1.34 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 7.4 ttt-85 -48.32 -39.3 21.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -58.3 -31.3 67.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.723 ' CE1' HD11 ' A' ' 129' ' ' LEU . 61.3 t80 -70.38 -32.58 70.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.774 ' HA ' HD12 ' A' ' 129' ' ' LEU . 11.7 mt -67.58 -58.27 4.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.718 ' HA ' HD12 ' A' ' 130' ' ' LEU . 6.2 mp -60.31 -44.48 95.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 123' ' ' LEU . 4.4 m-20 -35.9 151.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -91.32 -34.94 14.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -38.82 -45.01 1.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.552 ' CG ' ' CZ ' ' A' ' 121' ' ' PHE . 13.5 m-80 -86.27 -42.42 13.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 75.45 33.56 52.52 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.501 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.774 HD12 ' HA ' ' A' ' 122' ' ' LEU . 50.1 mt -69.51 -21.91 63.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.797 0.332 . . . . 0.0 110.877 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.718 HD12 ' HA ' ' A' ' 123' ' ' LEU . 4.8 mt -130.61 79.91 71.11 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.623 0.725 . . . . 0.0 110.912 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -25.74 28.48 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.697 2.265 . . . . 0.0 112.37 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -120.6 26.7 8.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 60.37 31.31 20.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.407 ' HD3' HG21 ' A' ' 17' ' ' THR . 6.5 ptpt -128.51 129.87 46.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 28.3 tp -96.06 105.35 17.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 84.4 m -82.16 99.31 9.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 11.2 mt -92.37 116.38 28.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . 0.579 ' CE1' ' HB2' ' A' ' 13' ' ' SER . 4.7 t80 -105.84 103.01 12.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 37.3 t -105.36 154.7 19.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -140.38 119.29 12.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 48.8 t -109.43 139.02 34.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 4.2 p -122.17 115.76 22.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 72.2 t -92.77 118.98 39.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.167 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 144' ' ' VAL . 29.3 m . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 143' ' ' VAL . 7.5 p . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.878 0.37 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.1 t -86.89 106.37 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.48 154.08 31.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -149.54 144.27 26.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.541 ' HB2' ' CE1' ' A' ' 138' ' ' PHE . 69.3 p -110.34 149.16 30.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -142.52 113.41 7.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.941 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.524 ' HG2' HG23 ' A' ' 136' ' ' THR . 33.2 ttm -86.61 119.4 26.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.761 ' CZ2' HD11 ' A' ' 18' ' ' ILE . 9.5 t90 -113.42 98.82 7.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 49.1 m -93.73 104.58 16.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.761 HD11 ' CZ2' ' A' ' 16' ' ' TRP . 36.2 mt -87.27 98.15 7.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.179 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.617 ' ND2' ' H ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -60.19 127.48 32.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 133' ' ' ASP . 21.5 t30 64.42 54.89 1.45 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -57.74 -12.1 2.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 -179.802 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.431 ' O ' ' ND2' ' A' ' 52' ' ' ASN . 8.9 mm-40 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.848 0.356 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.915 HG23 ' OD1' ' A' ' 52' ' ' ASN . 9.3 p -135.86 150.88 28.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 31.4 mt -102.31 105.94 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.119 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.8 mttm -90.54 122.88 33.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 59.0 p -86.48 169.46 12.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.836 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 59.1 m -57.48 161.9 3.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 77.7 p -81.24 121.65 26.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.113 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 18.7 p90 -118.5 145.0 45.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.3 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 -179.809 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.788 0.328 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.7 HD22 ' NE1' ' A' ' 47' ' ' TRP . 2.9 tt -70.56 125.01 25.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.455 ' N ' HD23 ' A' ' 45' ' ' LEU . 60.7 mmtt -112.21 161.88 16.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.7 ' NE1' HD22 ' A' ' 45' ' ' LEU . 71.0 m95 -139.68 148.42 42.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.867 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.437 ' SG ' HD23 ' A' ' 69' ' ' LEU . 24.6 p -138.23 149.12 45.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.458 HD11 ' CB ' ' A' ' 139' ' ' CYS . 11.1 mt -106.52 138.09 43.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.589 ' HD2' HD22 ' A' ' 69' ' ' LEU . 64.3 mtp180 -115.71 114.75 25.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.558 HG13 HD11 ' A' ' 64' ' ' LEU . 19.1 t -117.96 134.86 60.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.173 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.915 ' OD1' HG23 ' A' ' 31' ' ' VAL . 4.2 m120 -124.99 102.06 31.7 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.61 0.719 . . . . 0.0 110.916 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.479 ' HA ' ' CD2' ' A' ' 64' ' ' LEU . 54.4 Cg_endo -69.71 -23.93 30.45 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.688 2.258 . . . . 0.0 112.369 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.0 ttmt -104.52 13.88 30.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 55.79 173.04 0.13 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.458 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 18.9 mt -88.99 -35.89 16.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.812 0.339 . . . . 0.0 110.942 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -130.54 173.15 11.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -68.73 -7.41 33.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -76.93 -56.34 4.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 59.5 p -104.13 38.88 1.75 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.4 ptmm? -80.23 -30.87 38.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.434 ' C ' ' OD1' ' A' ' 62' ' ' ASP . 5.2 t0 -74.81 -37.43 62.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.85 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -89.09 166.36 13.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.558 HD11 HG13 ' A' ' 51' ' ' VAL . 1.3 tm? -89.95 131.57 35.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.938 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.7 t -103.86 115.84 31.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.549 HD21 ' CD1' ' A' ' 84' ' ' PHE . 12.7 tp -124.75 126.75 46.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.476 ' N ' HD12 ' A' ' 66' ' ' LEU . 50.8 m-85 -131.21 157.72 42.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.955 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.591 ' C ' HD13 ' A' ' 68' ' ' LEU . 0.7 OUTLIER -104.77 111.05 23.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.936 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.754 HD12 ' O ' ' A' ' 109' ' ' LYS . 11.7 tp -104.38 148.75 26.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.951 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.683 HD21 ' HB3' ' A' ' 73' ' ' CYS . 41.4 tp -99.82 85.56 3.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.643 HG13 ' H ' ' A' ' 72' ' ' SER . 0.3 OUTLIER -38.02 -66.11 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.101 179.87 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.643 ' H ' HG13 ' A' ' 71' ' ' VAL . 18.9 m -146.02 147.67 31.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.82 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.683 ' HB3' HD21 ' A' ' 70' ' ' LEU . 26.1 p -137.97 145.99 50.39 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.615 0.722 . . . . 0.0 110.897 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -48.08 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.762 2.308 . . . . 0.0 112.316 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.8 pttm -95.34 169.14 10.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.934 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 66.7 m -48.91 -68.63 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -124.0 155.72 37.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.886 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.5 p -142.36 140.24 29.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 22.3 mtp180 -103.25 133.88 47.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -160.63 159.12 30.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.616 ' HG3' ' HB2' ' A' ' 102' ' ' ALA . 71.1 mttt -107.61 130.08 54.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -113.09 149.02 34.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.3 tmmm? -141.77 141.93 33.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.549 ' CD1' HD21 ' A' ' 66' ' ' LEU . 22.5 m-85 -118.67 140.49 49.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.461 ' CB ' ' HB2' ' A' ' 96' ' ' ALA . 39.1 p -156.02 148.25 23.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.836 -179.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.625 HD11 HG21 ' A' ' 117' ' ' ILE . 24.3 mt -106.43 132.43 53.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.148 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.8 mt -101.81 108.99 20.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.942 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.495 ' ND2' ' HG2' ' A' ' 92' ' ' GLU . 38.3 p30 -60.23 -177.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.86 -19.37 41.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.092 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.451 ' HD2' ' N ' ' A' ' 90' ' ' LYS . 4.3 mptt -95.42 11.74 31.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 58.97 30.56 66.78 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.476 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.495 ' HG2' ' ND2' ' A' ' 88' ' ' ASN . 4.1 pt-20 -103.64 133.23 49.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.866 0.365 . . . . 0.0 110.861 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -61.75 122.64 15.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.3 t -144.79 154.41 42.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 34.2 mmtt 48.64 46.98 21.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.461 ' HB2' ' CB ' ' A' ' 85' ' ' SER . . . -99.66 151.28 21.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.096 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 19.5 mtm -127.6 119.71 26.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -93.4 160.66 14.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 28.8 p -108.44 155.31 20.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -76.58 -66.69 0.78 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -124.54 168.67 12.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.616 ' HB2' ' HG3' ' A' ' 81' ' ' LYS . . . -78.2 158.41 29.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.077 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -117.45 167.49 11.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.419 ' HB3' ' NH1' ' A' ' 104' ' ' ARG . 14.7 ttm105 -78.87 105.77 10.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -96.35 120.25 36.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.513 HG22 ' HB2' ' A' ' 109' ' ' LYS . 19.4 m -132.74 149.27 31.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.139 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -42.08 97.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 106.76 23.12 7.29 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.484 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.754 ' O ' HD12 ' A' ' 69' ' ' LEU . 17.8 tptt -104.91 141.02 37.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.747 0.308 . . . . 0.0 110.943 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -128.67 121.45 28.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.477 ' CD1' ' HG3' ' A' ' 109' ' ' LYS . 93.1 m95 -135.75 132.24 36.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 176.26 -152.5 12.83 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.521 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -117.32 152.09 35.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.936 0.398 . . . . 0.0 110.863 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 34.0 tttt -80.08 -54.85 5.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.933 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 45.9 mttt -104.44 96.92 6.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.882 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.468 ' CD2' HG22 ' A' ' 117' ' ' ILE . 14.4 t80 -80.09 -52.47 7.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.625 HG21 HD11 ' A' ' 86' ' ' ILE . 2.2 tt -169.18 146.54 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.146 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 17.0 mtt85 -59.2 115.81 3.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.548 ' HA ' HD13 ' A' ' 122' ' ' LEU . 33.4 mtp180 -48.06 -43.39 30.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -49.22 -40.4 33.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.475 ' CD2' ' ND2' ' A' ' 127' ' ' ASN . 10.6 t80 -62.91 -33.12 74.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.929 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.56 ' HA ' HD12 ' A' ' 129' ' ' LEU . 6.7 mp -70.7 -56.49 6.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.918 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.624 HD22 ' H ' ' A' ' 123' ' ' LEU . 2.2 mm? -70.99 0.46 7.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -77.45 119.75 21.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -68.19 -34.53 76.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -51.58 -30.0 19.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.051 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.475 ' ND2' ' CD2' ' A' ' 121' ' ' PHE . 57.4 m-20 -89.07 -34.46 16.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . 0.401 ' O ' ' N ' ' A' ' 130' ' ' LEU . . . 82.3 -5.72 71.35 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.457 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.597 ' O ' HD23 ' A' ' 130' ' ' LEU . 31.2 mt -39.49 -29.5 0.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.841 0.353 . . . . 0.0 110.896 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.597 HD23 ' O ' ' A' ' 129' ' ' LEU . 13.5 mt -130.45 87.13 51.27 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.61 0.719 . . . . 0.0 110.908 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -25.01 29.15 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.645 2.23 . . . . 0.0 112.378 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -134.46 26.75 3.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 20' ' ' ASN . 4.2 m-20 65.98 36.62 5.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.879 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -122.73 120.72 34.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 68.5 tp -92.63 100.85 13.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 0.524 HG23 ' HG2' ' A' ' 15' ' ' MET . 97.1 m -85.91 95.43 9.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.128 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 10.9 mt -89.98 110.4 21.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . 0.541 ' CE1' ' HB2' ' A' ' 13' ' ' SER . 7.9 t80 -92.42 108.2 19.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.953 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' CYS . . . . . 0.458 ' CB ' HD11 ' A' ' 49' ' ' LEU . 48.9 t -108.4 145.21 34.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -131.32 125.79 33.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 45.3 t -114.53 134.92 56.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.111 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 2.9 m -125.28 112.31 16.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.842 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.408 ' O ' HG23 ' A' ' 9' ' ' VAL . 96.4 t -86.86 121.4 37.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.145 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 144' ' ' VAL . 28.0 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.16 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.5 p . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.861 0.363 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 84.3 t -100.77 113.39 36.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.077 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.66 151.2 39.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.4 p90 -137.68 146.39 43.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.483 ' HB2' ' CE1' ' A' ' 138' ' ' PHE . 88.9 p -110.42 128.48 55.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.686 ' CD2' ' CD1' ' A' ' 37' ' ' PHE . 38.5 t80 -125.65 108.0 11.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.939 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 26.6 ttm -87.73 121.13 29.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.884 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.451 ' CE3' ' HB3' ' A' ' 34' ' ' SER . 11.4 t90 -116.79 101.49 8.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 98.8 m -92.47 121.54 34.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.18 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 34.3 mt -100.37 98.77 7.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.185 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.441 ' O ' ' CG ' ' A' ' 20' ' ' ASN . 0.4 OUTLIER -58.9 148.06 31.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.441 ' CG ' ' O ' ' A' ' 19' ' ' ASN . 21.0 p30 47.16 46.87 16.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -57.33 -25.99 60.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 40.7 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 -179.79 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.867 0.365 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 12.6 p -135.72 145.21 31.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.129 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 60.1 mt -96.5 105.94 17.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.107 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.7 mtmm -89.27 125.72 35.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.451 ' HB3' ' CE3' ' A' ' 16' ' ' TRP . 36.5 p -83.63 173.88 11.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.9 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 77.6 p -60.2 169.93 1.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 44.7 p -93.16 125.81 37.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.098 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.686 ' CD1' ' CD2' ' A' ' 14' ' ' TYR . 9.0 p90 -121.67 148.65 44.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.5 p . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 -179.785 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.808 0.337 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.711 HD21 ' HZ2' ' A' ' 47' ' ' TRP . 22.8 tp -62.81 121.8 14.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -111.89 168.88 9.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.927 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.711 ' HZ2' HD21 ' A' ' 45' ' ' LEU . 77.8 m95 -148.04 149.95 33.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.475 ' SG ' HD23 ' A' ' 69' ' ' LEU . 21.4 p -142.12 144.32 33.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.859 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 14.4 mt -103.79 133.79 48.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 20.0 mtt180 -107.72 106.18 16.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.83 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.735 HG22 HD13 ' A' ' 66' ' ' LEU . 52.4 t -106.97 143.6 17.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -134.13 102.63 11.95 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.643 0.735 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.614 ' HA ' HD12 ' A' ' 64' ' ' LEU . 53.7 Cg_endo -69.72 -30.86 21.79 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.714 2.276 . . . . 0.0 112.364 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.7 ttmm -100.6 31.96 3.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 43.1 -161.06 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 21.7 mt -121.42 -44.62 2.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.812 0.339 . . . . 0.0 110.915 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -135.02 163.31 30.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -52.07 -19.51 1.94 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -69.67 -46.31 66.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 92.1 p -120.95 46.26 2.07 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.9 ptmm? -88.29 -33.62 17.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.599 ' OD1' ' CD2' ' A' ' 63' ' ' TYR . 0.5 OUTLIER -69.69 -42.51 73.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 179.893 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.599 ' CD2' ' OD1' ' A' ' 62' ' ' ASP . 1.0 OUTLIER -91.09 168.46 11.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 -179.838 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.614 HD12 ' HA ' ' A' ' 53' ' ' PRO . 4.0 tp -89.63 150.14 22.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.92 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 9.3 t -114.41 102.76 10.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.735 HD13 HG22 ' A' ' 51' ' ' VAL . 57.2 tp -108.8 133.68 52.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -143.05 142.76 31.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 56.4 tp -97.44 102.74 14.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.608 HD12 ' O ' ' A' ' 109' ' ' LYS . 7.2 tp -94.48 138.23 32.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.759 HD21 ' HB3' ' A' ' 73' ' ' CYS . 28.4 tp -86.86 83.36 7.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.666 HG13 ' H ' ' A' ' 72' ' ' SER . 0.6 OUTLIER -36.86 -64.71 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.176 179.815 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.666 ' H ' HG13 ' A' ' 71' ' ' VAL . 22.3 t -147.53 144.77 28.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.759 ' HB3' HD21 ' A' ' 70' ' ' LEU . 29.8 p -134.39 142.98 44.91 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.599 0.714 . . . . 0.0 110.898 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -37.07 9.65 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.701 2.268 . . . . 0.0 112.343 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.1 pttm -107.97 155.74 19.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 73.9 m -38.55 -71.44 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.81 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -117.34 154.3 31.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.3 p -141.75 130.85 23.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.153 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.886 ' O ' HG22 ' A' ' 144' ' ' VAL . 33.0 mtp85 -99.24 133.02 44.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -160.7 161.37 32.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.098 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.509 ' HG3' ' HB2' ' A' ' 102' ' ' ALA . 61.5 mttm -104.5 133.51 49.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.942 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -114.83 145.42 42.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.421 ' CG ' ' HG2' ' A' ' 98' ' ' GLU . 5.1 tmmm? -144.57 124.2 13.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.4 ' CG ' HD23 ' A' ' 66' ' ' LEU . 22.2 m-85 -103.64 147.91 26.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 91.3 p -158.88 158.04 32.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.459 HD11 ' CE2' ' A' ' 116' ' ' PHE . 23.3 mt -120.17 132.68 69.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.089 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.6 mt -94.49 106.73 18.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.632 ' ND2' ' H ' ' A' ' 92' ' ' GLU . 0.5 OUTLIER -60.31 -174.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.899 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.83 -35.43 61.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.09 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.05 15.59 2.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.72 23.93 46.19 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.513 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.632 ' H ' ' ND2' ' A' ' 88' ' ' ASN . 21.3 mt-10 -104.3 137.34 42.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.839 0.352 . . . . 0.0 110.893 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -54.26 140.86 31.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.442 HG21 HD11 ' A' ' 129' ' ' LEU . 5.9 t -160.32 143.95 13.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.589 ' HE3' ' CZ ' ' A' ' 121' ' ' PHE . 28.4 mmtt 55.97 45.7 23.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -90.66 158.54 16.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.058 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.408 ' HE3' ' CG ' ' A' ' 113' ' ' PHE . 13.0 mtm -133.55 115.11 14.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.421 ' HG2' ' CG ' ' A' ' 83' ' ' LYS . 22.2 mt-10 -91.25 169.7 10.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.916 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 45.2 t -115.01 151.28 34.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.827 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -59.36 -56.33 23.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 56.9 mtt180 -150.78 175.46 11.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.509 ' HB2' ' HG3' ' A' ' 81' ' ' LYS . . . -65.9 155.26 36.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.114 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -121.94 169.17 11.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.945 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 5.8 ttp-105 -83.8 101.86 11.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -95.3 123.9 39.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.57 ' C ' HD23 ' A' ' 70' ' ' LEU . 19.7 m -128.3 161.18 37.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.161 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -49.71 107.93 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 91.12 23.14 30.5 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.501 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.608 ' O ' HD12 ' A' ' 69' ' ' LEU . 9.0 tptt -98.34 146.98 25.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.816 0.341 . . . . 0.0 110.846 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -130.51 127.61 39.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 88.6 m95 -142.0 132.96 25.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.961 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 173.25 -145.6 8.45 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.498 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.408 ' CG ' ' HE3' ' A' ' 97' ' ' MET . 7.0 m-85 -127.69 152.4 47.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.879 0.371 . . . . 0.0 110.897 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 23.5 tttp -79.62 -56.45 4.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.487 ' HG2' ' CD2' ' A' ' 63' ' ' TYR . 0.2 OUTLIER -98.34 99.94 11.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.921 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.459 ' CE2' HD11 ' A' ' 86' ' ' ILE . 14.4 t80 -86.45 -50.82 6.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.612 HG21 HD21 ' A' ' 122' ' ' LEU . 5.4 tp -167.26 151.3 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.499 ' N ' HG13 ' A' ' 117' ' ' ILE . 15.8 mtm180 -67.34 110.43 3.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.593 ' HA ' HD12 ' A' ' 122' ' ' LEU . 19.0 ttp85 -42.66 -42.12 3.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.62 -35.97 75.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.589 ' CZ ' ' HE3' ' A' ' 95' ' ' LYS . 57.3 t80 -66.79 -26.33 66.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.612 HD21 HG21 ' A' ' 117' ' ' ILE . 13.7 mt -72.4 -46.89 53.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.898 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.83 HD13 HD12 ' A' ' 130' ' ' LEU . 3.1 mm? -74.64 -38.81 62.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.454 ' C ' ' O ' ' A' ' 123' ' ' LEU . 28.6 m-20 -33.78 139.33 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -77.77 -33.39 52.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -47.66 -44.62 27.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.082 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.472 ' HB2' ' CD2' ' A' ' 129' ' ' LEU . 22.2 m-80 -88.57 -46.42 9.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 71.45 40.46 59.94 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.504 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.517 HD21 ' CE1' ' A' ' 121' ' ' PHE . 2.7 mm? -61.54 -24.0 66.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.87 0.367 . . . . 0.0 110.939 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.83 HD12 HD13 ' A' ' 123' ' ' LEU . 2.2 mt -126.91 86.77 58.09 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.638 0.733 . . . . 0.0 110.902 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -30.87 21.52 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.712 2.274 . . . . 0.0 112.323 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -120.42 27.87 8.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.829 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 61.73 25.35 15.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 1.5 ptpt -123.88 124.35 42.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 31.8 tp -88.75 115.75 26.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.938 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 62.9 m -97.82 102.08 13.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.091 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 5.2 mt -96.45 116.26 28.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . 0.483 ' CE1' ' HB2' ' A' ' 13' ' ' SER . 5.9 t80 -102.6 110.15 21.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 49.4 t -112.26 151.88 29.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -134.9 120.14 18.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 48.0 t -111.06 122.04 64.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.181 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 19.3 m -108.25 110.15 21.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 59.7 t -83.9 124.78 39.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.886 HG22 ' O ' ' A' ' 79' ' ' ARG . 21.8 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.117 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.9 0.381 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 82.4 t -100.59 103.49 14.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.099 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.82 162.46 17.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.831 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 13.8 p90 -154.88 144.0 21.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.404 ' HB2' ' CE1' ' A' ' 138' ' ' PHE . 78.5 p -109.99 125.85 53.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.57 ' HB2' ' CD2' ' A' ' 37' ' ' PHE . 45.3 t80 -115.04 110.91 20.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 31.6 ttm -85.57 117.71 24.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.878 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.444 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 7.8 t90 -112.37 101.31 9.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.944 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 96.0 m -98.24 112.49 24.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.147 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.425 ' CG1' ' NE1' ' A' ' 16' ' ' TRP . 29.4 mt -95.94 99.74 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.642 ' ND2' ' H ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -61.56 138.59 58.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 133' ' ' ASP . 74.9 m-80 56.75 51.54 10.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -54.71 -14.15 1.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.0 t . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.814 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.879 0.371 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.413 HG21 ' HB3' ' A' ' 50' ' ' ARG . 14.4 p -156.06 141.65 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 46.4 mt -89.01 104.93 15.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.151 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.8 mtmt -90.89 111.76 23.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.2 p -74.06 171.12 14.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.872 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.4 m -59.21 -176.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 20.3 p -99.15 127.84 45.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.135 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.57 ' CD2' ' HB2' ' A' ' 14' ' ' TYR . 30.5 p90 -131.0 141.58 50.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.859 -179.852 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.825 0.345 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.753 HD23 ' N ' ' A' ' 46' ' ' LYS . 3.0 tt -74.48 137.54 42.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.753 ' N ' HD23 ' A' ' 45' ' ' LEU . 31.9 mmtm -127.55 166.54 17.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.708 ' NE1' HD22 ' A' ' 45' ' ' LEU . 72.6 m95 -145.36 139.74 27.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 24.7 p -128.71 165.45 20.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.93 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.462 HD11 ' CB ' ' A' ' 139' ' ' CYS . 20.5 mt -121.3 132.12 54.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.413 ' HB3' HG21 ' A' ' 31' ' ' VAL . 47.7 mtt180 -109.38 106.07 15.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.848 HG13 HD11 ' A' ' 64' ' ' LEU . 42.9 t -107.68 132.7 54.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.089 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.572 ' O ' HD22 ' A' ' 64' ' ' LEU . 0.7 OUTLIER -121.13 101.82 44.16 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.583 0.706 . . . . 0.0 110.861 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.502 ' HA ' ' CD2' ' A' ' 64' ' ' LEU . 54.2 Cg_endo -69.73 -19.53 36.16 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.73 2.287 . . . . 0.0 112.318 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.1 mttt -106.89 -4.14 19.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 72.94 150.08 1.22 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 81.5 mt -61.97 -59.78 4.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.845 0.355 . . . . 0.0 110.911 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -117.28 169.91 9.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -57.37 -13.49 3.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -64.01 -49.16 73.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 84.8 p -116.32 45.91 1.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.83 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.9 ptmm? -77.71 -31.55 52.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.941 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -87.23 -13.29 44.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.413 ' CE2' ' HG3' ' A' ' 118' ' ' ARG . 10.2 m-85 -107.63 164.93 11.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.848 HD11 HG13 ' A' ' 51' ' ' VAL . 2.2 tm? -94.77 125.23 39.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 t -99.92 113.25 25.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.717 ' HG ' HG22 ' A' ' 51' ' ' VAL . 4.2 tt -125.83 113.9 17.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.944 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -118.5 161.39 20.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.535 ' C ' HD13 ' A' ' 68' ' ' LEU . 1.9 tm? -104.65 100.91 10.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.965 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.407 HD12 ' O ' ' A' ' 109' ' ' LYS . 6.3 tp -94.97 143.13 26.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.849 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.824 HD21 ' HB3' ' A' ' 73' ' ' CYS . 60.0 tp -92.23 89.92 7.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.878 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.583 HG22 ' N ' ' A' ' 72' ' ' SER . 0.1 OUTLIER -42.78 -66.45 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.858 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.583 ' N ' HG22 ' A' ' 71' ' ' VAL . 40.6 t -143.81 141.59 30.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.824 ' HB3' HD21 ' A' ' 70' ' ' LEU . 5.2 p -143.09 129.28 10.38 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.565 0.698 . . . . 0.0 110.876 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -43.71 2.52 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.688 2.259 . . . . 0.0 112.373 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.847 ' HE3' HG13 ' A' ' 78' ' ' VAL . 1.1 pttt -81.69 144.53 31.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 75' ' ' LYS . 36.1 m -33.98 -52.64 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.827 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.472 ' CG ' ' HD2' ' A' ' 104' ' ' ARG . 7.7 pt-20 -137.74 175.75 9.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.838 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.847 HG13 ' HE3' ' A' ' 75' ' ' LYS . 1.9 t -148.27 129.77 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.106 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.539 ' O ' HG22 ' A' ' 144' ' ' VAL . 5.6 mtt-85 -107.6 108.99 20.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -142.25 173.84 11.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.1 mttm -119.19 127.05 52.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.595 ' CD1' ' CZ ' ' A' ' 84' ' ' PHE . 53.0 p90 -107.55 146.56 31.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.432 ' HD3' ' HB1' ' A' ' 96' ' ' ALA . 2.7 tmmm? -139.32 123.1 17.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.955 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.595 ' CZ ' ' CD1' ' A' ' 82' ' ' PHE . 6.7 m-85 -107.32 138.25 43.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.895 ' OG ' ' HB2' ' A' ' 96' ' ' ALA . 1.4 t -150.51 179.34 8.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 -179.722 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.54 ' O ' HG22 ' A' ' 94' ' ' THR . 17.1 mt -138.03 134.17 44.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.132 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.0 mt -93.48 107.43 19.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.914 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.416 ' OD1' ' N ' ' A' ' 90' ' ' LYS . 42.3 p30 -62.04 -176.51 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.92 -27.31 51.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.162 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.448 ' HD2' ' N ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -91.33 13.72 16.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.15 32.16 59.73 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.491 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -109.88 121.33 44.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.782 0.325 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -42.98 135.58 3.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.54 HG22 ' O ' ' A' ' 86' ' ' ILE . 5.8 t -151.23 148.31 28.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.52 ' HE2' ' CE2' ' A' ' 121' ' ' PHE . 32.0 mmtm 55.12 41.41 31.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.895 ' HB2' ' OG ' ' A' ' 85' ' ' SER . . . -84.26 154.33 23.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 7.6 mtm -143.68 114.71 7.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -111.9 170.86 7.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 6.7 t -116.13 141.82 47.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.849 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -56.78 -68.69 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -101.64 170.27 8.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -79.67 163.74 24.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -121.02 153.65 37.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.472 ' HD2' ' CG ' ' A' ' 77' ' ' GLU . 7.6 tpp180 -74.42 130.47 39.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.886 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.699 ' HB3' HD22 ' A' ' 70' ' ' LEU . 23.4 m-85 -120.3 136.12 54.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.64 HG22 ' HB2' ' A' ' 109' ' ' LYS . 17.5 m -142.87 144.59 24.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.123 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -38.85 92.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 106' ' ' VAL . . . 111.59 21.38 6.5 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.64 ' HB2' HG22 ' A' ' 106' ' ' VAL . 26.3 tptt -106.21 145.67 31.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.775 0.321 . . . . 0.0 110.911 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -135.91 125.34 24.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -132.68 135.71 45.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.492 ' HA2' ' CZ ' ' A' ' 82' ' ' PHE . . . 172.11 -149.34 11.67 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.47 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -123.18 155.02 37.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.913 0.387 . . . . 0.0 110.892 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 26.9 tttt -81.92 -55.28 4.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 40.5 mttt -101.37 93.56 5.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.902 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -81.92 -48.62 11.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.587 ' CG2' HD11 ' A' ' 122' ' ' LEU . 8.0 tp -163.73 152.58 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.172 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.478 ' N ' HG13 ' A' ' 117' ' ' ILE . 26.5 mtm180 -72.92 112.13 8.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.512 ' HA ' HD13 ' A' ' 122' ' ' LEU . 14.7 ttp180 -48.13 -35.64 11.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.94 -33.27 75.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.52 ' CE2' ' HE2' ' A' ' 95' ' ' LYS . 83.5 t80 -66.87 -35.33 79.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.587 HD11 ' CG2' ' A' ' 117' ' ' ILE . 5.9 mp -65.9 -67.61 0.43 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.6 mt -51.45 -18.28 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -49.2 161.11 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -98.46 -33.85 10.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -56.07 -38.51 70.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.126 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.485 ' HB2' ' CD2' ' A' ' 129' ' ' LEU . 12.0 m-20 -92.27 -38.45 12.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 61.87 43.53 99.08 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.503 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.706 ' O ' HD23 ' A' ' 130' ' ' LEU . 1.9 mm? -61.81 -12.9 19.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.807 0.337 . . . . 0.0 110.92 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.706 HD23 ' O ' ' A' ' 129' ' ' LEU . 2.7 mt -133.79 89.21 30.81 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.578 0.704 . . . . 0.0 110.904 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 130' ' ' LEU . 53.2 Cg_endo -69.82 -34.37 14.51 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.681 2.254 . . . . 0.0 112.331 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -120.7 26.5 9.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 20' ' ' ASN . 5.6 m-20 65.13 32.41 10.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 4.6 ptpt -127.77 138.77 52.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.406 HD13 HD23 ' A' ' 122' ' ' LEU . 50.2 tp -101.07 95.9 6.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.934 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 90.2 m -78.66 96.4 5.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.15 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 13.2 mt -89.99 112.27 23.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . 0.404 ' CE1' ' HB2' ' A' ' 13' ' ' SER . 15.1 t80 -97.94 105.36 17.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' CYS . . . . . 0.462 ' CB ' HD11 ' A' ' 49' ' ' LEU . 49.7 t -103.68 147.13 27.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -135.76 113.48 10.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 15.6 t -110.15 135.17 50.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 19.9 m -122.67 107.41 11.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.854 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 93.5 t -84.39 128.82 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 144' ' ' VAL . 12.8 m . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.169 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.659 HG13 ' HE2' ' A' ' 11' ' ' LYS . 2.7 p . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.857 0.361 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.58 ' N ' HG22 ' A' ' 9' ' ' VAL . 55.9 t -120.66 97.6 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.097 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.659 ' HE2' HG13 ' A' ' 9' ' ' VAL . 11.4 mtmt -104.03 170.79 7.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.559 ' CZ ' ' HB ' ' A' ' 141' ' ' VAL . 25.9 p90 -169.32 133.69 1.41 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 89.1 p -109.01 141.17 41.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -131.15 110.01 10.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 33.8 ttm -85.95 117.73 24.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.88 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.704 ' CZ2' HD11 ' A' ' 18' ' ' ILE . 8.6 t90 -115.93 98.7 6.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.954 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 99.1 m -91.43 107.69 19.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.17 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.704 HD11 ' CZ2' ' A' ' 16' ' ' TRP . 21.5 mt -87.73 99.51 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.089 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.565 ' ND2' ' H ' ' A' ' 19' ' ' ASN . 0.3 OUTLIER -65.88 130.42 43.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.855 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.436 ' OD1' ' N ' ' A' ' 20' ' ' ASN . 0.4 OUTLIER 67.5 52.13 0.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.459 ' CE1' ' HB3' ' A' ' 53' ' ' PRO . 54.5 t80 -69.12 -44.11 73.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.9 t . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 -179.81 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.94 0.4 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.0 p -123.72 141.94 42.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.131 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 85.1 mt -92.25 101.87 13.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.5 mttm -84.56 116.62 23.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 83.4 p -76.23 169.25 18.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.829 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.7 m -60.79 170.97 1.29 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.868 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 73.0 p -86.39 123.99 32.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.183 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -116.33 156.11 27.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.5 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.841 -179.792 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.793 0.33 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.667 HD22 ' NE1' ' A' ' 47' ' ' TRP . 1.7 tt -71.33 120.64 17.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 36.5 mmtm -115.44 162.0 17.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.667 ' NE1' HD22 ' A' ' 45' ' ' LEU . 77.2 m95 -139.12 157.4 46.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.954 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.447 ' SG ' HD23 ' A' ' 69' ' ' LEU . 1.9 p -143.03 148.93 37.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 49' ' ' LEU . 11.6 mt -107.72 132.64 53.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 40.1 mtp180 -111.04 103.72 12.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.502 HG13 HD21 ' A' ' 64' ' ' LEU . 61.3 t -107.29 135.89 44.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -122.06 102.2 40.86 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.63 0.729 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.596 ' HA ' HD12 ' A' ' 64' ' ' LEU . 53.8 Cg_endo -69.7 -15.88 37.54 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.717 2.278 . . . . 0.0 112.321 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.7 mttm -116.25 25.32 10.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.914 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 50.11 -156.97 2.01 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.481 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.4 mt -125.12 -44.94 1.88 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.782 0.325 . . . . 0.0 110.91 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.453 ' OD2' ' CE ' ' A' ' 114' ' ' LYS . 0.1 OUTLIER -127.64 161.43 28.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.831 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -48.42 -30.94 5.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.937 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -62.71 -60.96 2.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.401 ' CB ' ' HD3' ' A' ' 115' ' ' LYS . 92.5 p -93.03 39.88 1.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.888 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.408 ' CG ' ' N ' ' A' ' 62' ' ' ASP . 13.5 ptmt -85.88 -43.71 13.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.408 ' N ' ' CG ' ' A' ' 61' ' ' LYS . 14.7 t0 -66.42 -23.83 66.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.837 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.581 ' CE2' ' HG3' ' A' ' 118' ' ' ARG . 2.3 m-85 -106.5 167.29 9.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.596 HD12 ' HA ' ' A' ' 53' ' ' PRO . 4.3 tp -90.57 141.08 29.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.916 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.3 t -109.16 99.3 8.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.667 HD22 ' CE2' ' A' ' 84' ' ' PHE . 6.5 tt -108.45 139.14 43.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.914 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.507 ' N ' HD23 ' A' ' 66' ' ' LEU . 41.7 m-85 -143.77 144.63 31.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' A' ' 82' ' ' PHE . 20.9 tp -98.52 109.71 22.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.928 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.831 HD12 ' O ' ' A' ' 109' ' ' LYS . 6.0 tp -100.36 148.19 24.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.937 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.736 HD22 ' HB3' ' A' ' 105' ' ' PHE . 53.9 tp -95.46 88.12 4.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.653 HG13 ' H ' ' A' ' 72' ' ' SER . 0.8 OUTLIER -43.27 -61.67 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.81 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.653 ' H ' HG13 ' A' ' 71' ' ' VAL . 9.4 m -144.94 150.98 37.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.714 ' HB3' HD21 ' A' ' 70' ' ' LEU . 16.7 p -151.66 136.99 10.77 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.617 0.722 . . . . 0.0 110.88 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -51.14 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.719 2.279 . . . . 0.0 112.299 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.817 ' HE2' HG13 ' A' ' 78' ' ' VAL . 15.0 pttm -83.35 149.48 26.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 75' ' ' LYS . 33.3 t -34.12 -54.61 0.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.401 ' HA ' ' O ' ' A' ' 105' ' ' PHE . 5.5 pt-20 -134.74 170.88 15.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.901 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.817 HG13 ' HE2' ' A' ' 75' ' ' LYS . 2.3 t -139.39 131.24 35.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -106.42 109.11 20.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -146.4 158.87 43.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.137 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.521 ' HG3' ' HB2' ' A' ' 102' ' ' ALA . 56.1 mttt -106.7 121.87 45.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.466 ' HB3' ' CD2' ' A' ' 68' ' ' LEU . 53.8 p90 -105.94 153.54 21.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.861 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.34 126.17 14.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.667 ' CE2' HD22 ' A' ' 66' ' ' LEU . 21.8 m-85 -99.46 145.27 27.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.503 ' CB ' ' HB2' ' A' ' 96' ' ' ALA . 89.0 p -158.99 154.9 26.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.816 HD11 HG21 ' A' ' 117' ' ' ILE . 43.7 mt -114.82 130.31 69.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.162 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.4 mt -94.16 108.02 19.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.449 ' C ' ' OD1' ' A' ' 88' ' ' ASN . 25.1 p30 -56.4 179.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -52.02 -33.18 37.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.079 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.437 ' HD2' ' N ' ' A' ' 90' ' ' LYS . 1.1 mptp? -85.4 17.84 2.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 55.85 23.73 38.83 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.53 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -97.9 139.84 33.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.874 0.369 . . . . 0.0 110.859 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -60.55 136.9 58.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.9 t -162.58 137.52 6.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.161 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.58 ' HE3' ' CE2' ' A' ' 121' ' ' PHE . 23.4 mmtt 63.7 48.7 3.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.503 ' HB2' ' CB ' ' A' ' 85' ' ' SER . . . -101.06 144.41 30.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.074 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.437 ' CE ' ' CG ' ' A' ' 113' ' ' PHE . 9.0 mtm -117.19 125.07 50.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -96.46 164.02 12.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.1 t -113.83 152.88 30.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -62.48 -66.41 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 24.6 mtp180 -137.72 176.51 8.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.521 ' HB2' ' HG3' ' A' ' 81' ' ' LYS . . . -64.7 158.12 25.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.098 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -123.64 165.4 17.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.438 ' CZ ' HG11 ' A' ' 106' ' ' VAL . 61.0 ttt-85 -80.99 121.62 26.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.736 ' HB3' HD22 ' A' ' 70' ' ' LEU . 7.9 m-85 -113.11 120.96 43.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.847 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.598 HG22 ' HB2' ' A' ' 109' ' ' LYS . 15.9 m -130.93 143.49 40.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.146 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -39.91 95.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 106' ' ' VAL . . . 109.8 23.89 6.02 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.488 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.831 ' O ' HD12 ' A' ' 69' ' ' LEU . 17.9 tptt -106.64 153.27 22.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.749 0.309 . . . . 0.0 110.91 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -139.45 125.05 19.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -137.24 127.92 27.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.972 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -175.58 -143.95 4.82 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.502 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.437 ' CG ' ' CE ' ' A' ' 97' ' ' MET . 15.1 m-85 -133.0 151.37 52.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.944 0.402 . . . . 0.0 110.854 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.453 ' CE ' ' OD2' ' A' ' 57' ' ' ASP . 21.9 tttp -78.78 -53.84 6.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.851 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.401 ' HD3' ' CB ' ' A' ' 60' ' ' SER . 12.2 mmtp -101.88 96.4 7.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.656 ' CD2' HG22 ' A' ' 117' ' ' ILE . 27.6 t80 -85.05 -49.21 8.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.816 HG21 HD11 ' A' ' 86' ' ' ILE . 1.0 OUTLIER -171.41 144.09 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.581 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 62.6 mtt180 -57.49 110.9 0.95 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.429 ' HA ' HD13 ' A' ' 122' ' ' LEU . 19.8 ttp180 -45.43 -36.25 4.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -57.36 -42.92 82.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.58 ' CE2' ' HE3' ' A' ' 95' ' ' LYS . 46.0 t80 -54.1 -41.12 67.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.429 HD13 ' HA ' ' A' ' 119' ' ' ARG . 8.9 mp -58.95 -61.96 2.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.948 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.475 ' N ' ' CD1' ' A' ' 123' ' ' LEU . 3.2 mp -60.84 -32.23 71.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.514 ' OD2' ' HB3' ' A' ' 126' ' ' ALA . 20.9 t70 -39.62 149.24 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.836 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -93.12 -38.14 11.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.514 ' HB3' ' OD2' ' A' ' 124' ' ' ASP . . . -47.25 -35.35 7.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.047 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.55 ' CG ' ' CZ ' ' A' ' 121' ' ' PHE . 60.8 m-80 -95.05 -45.07 7.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 71.7 47.58 32.76 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.461 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.54 ' CD2' ' CB ' ' A' ' 127' ' ' ASN . 4.0 mm? -68.09 -17.88 64.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.861 0.363 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.437 HD21 HD23 ' A' ' 135' ' ' LEU . 3.0 mt -134.41 95.52 16.23 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.576 0.703 . . . . 0.0 110.917 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -32.73 18.23 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.699 2.266 . . . . 0.0 112.321 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -128.6 28.23 5.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 20' ' ' ASN . 36.0 m-20 67.62 26.82 7.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -110.11 119.6 39.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.649 HD11 ' HG ' ' A' ' 137' ' ' LEU . 2.1 tm? -88.23 101.02 13.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.921 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 29.0 m -90.89 96.63 10.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.649 ' HG ' HD11 ' A' ' 135' ' ' LEU . 5.0 mt -94.34 110.63 22.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.936 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -94.17 116.82 29.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 51.4 t -114.55 150.55 34.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -136.01 117.66 14.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.559 ' HB ' ' CZ ' ' A' ' 12' ' ' PHE . 31.5 t -113.37 136.59 49.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.086 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . 0.503 ' CB ' ' HG2' ' A' ' 11' ' ' LYS . 1.2 m -118.78 105.2 11.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.83 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 54.9 t -84.41 127.76 39.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 144' ' ' VAL . 9.4 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.109 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.903 0.382 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 56.4 t -112.78 107.69 23.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.22 153.75 35.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -142.24 143.98 33.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.556 ' HB2' ' CZ ' ' A' ' 138' ' ' PHE . 90.3 p -108.12 133.05 52.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.837 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -127.26 109.44 11.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.907 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.46 ' HG2' HG23 ' A' ' 136' ' ' THR . 31.7 ttm -85.47 118.46 25.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.486 ' CZ3' HG23 ' A' ' 51' ' ' VAL . 10.2 t90 -112.27 101.37 9.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.4 m -95.2 118.1 31.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.165 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.4 HD11 ' CZ2' ' A' ' 16' ' ' TRP . 31.4 mt -101.73 100.25 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.687 ' ND2' ' H ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -63.88 136.05 57.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.845 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 56.24 43.65 26.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -51.02 -16.84 0.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 84.0 p . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 -179.775 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.927 0.394 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.697 HG23 ' ND2' ' A' ' 52' ' ' ASN . 6.2 p -132.94 168.36 24.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.122 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.552 ' H ' HG22 ' A' ' 31' ' ' VAL . 56.8 mt -117.73 103.59 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.104 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.5 mtmm -89.01 125.12 34.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 99.1 p -89.17 175.43 7.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.7 m -63.0 -175.27 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.826 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.401 HG22 HG11 ' A' ' 71' ' ' VAL . 31.7 p -107.38 128.75 54.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.148 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.414 ' CD1' ' N ' ' A' ' 37' ' ' PHE . 4.9 p90 -128.7 150.62 50.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 67.6 p . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 -179.799 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.2 mmtt . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.783 0.325 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.65 HD21 ' HZ2' ' A' ' 47' ' ' TRP . 13.8 tp -61.23 124.7 21.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.924 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 34.1 mmtm -122.41 165.79 15.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.65 ' HZ2' HD21 ' A' ' 45' ' ' LEU . 54.2 m95 -143.62 150.7 39.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.6 t -140.78 153.23 45.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 49' ' ' LEU . 34.4 mt -111.09 143.57 41.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.558 ' NH1' HG11 ' A' ' 31' ' ' VAL . 36.0 mtp85 -116.49 110.39 18.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.486 HG23 ' CZ3' ' A' ' 16' ' ' TRP . 55.7 t -106.42 136.4 41.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.697 ' ND2' HG23 ' A' ' 31' ' ' VAL . 2.0 m120 -130.17 102.49 17.26 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.648 0.737 . . . . 0.0 110.862 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.613 ' HA ' HD12 ' A' ' 64' ' ' LEU . 53.8 Cg_endo -69.78 -38.12 8.18 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.69 2.26 . . . . 0.0 112.318 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.5 ttmm -88.02 -8.7 55.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 73.45 157.38 4.4 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.494 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.3 mt -69.47 -52.61 24.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.796 0.332 . . . . 0.0 110.896 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -130.91 171.03 13.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.7 mp0 -53.66 -17.5 2.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.434 ' CG ' ' HD3' ' A' ' 114' ' ' LYS . 5.2 tp10 -63.64 -41.07 98.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.459 ' HB3' ' CG ' ' A' ' 114' ' ' LYS . 8.9 p -119.28 47.85 1.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.878 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.6 ptmm? -85.58 -37.27 19.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -78.25 -34.06 49.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.437 ' CE2' ' HG3' ' A' ' 118' ' ' ARG . 1.4 m-85 -102.56 166.82 10.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.613 HD12 ' HA ' ' A' ' 53' ' ' PRO . 4.7 tp -89.48 153.9 20.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.9 t -117.15 99.35 6.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 17.9 tp -105.16 120.01 40.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.939 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -130.59 145.54 51.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 51.7 tp -99.76 110.11 22.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.552 HD12 ' O ' ' A' ' 109' ' ' LYS . 6.1 tp -100.87 139.75 36.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.865 HD21 ' HB3' ' A' ' 73' ' ' CYS . 28.8 tp -88.34 86.01 6.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.948 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.566 HG13 ' H ' ' A' ' 72' ' ' SER . 0.2 OUTLIER -41.27 -63.98 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 179.902 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.566 ' H ' HG13 ' A' ' 71' ' ' VAL . 41.0 t -145.12 142.15 29.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.865 ' HB3' HD21 ' A' ' 70' ' ' LEU . 11.1 p -138.13 135.64 18.73 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.59 0.71 . . . . 0.0 110.904 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.443 ' CD ' ' HB2' ' A' ' 45' ' ' LEU . 53.4 Cg_endo -69.78 -44.0 2.31 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.673 2.249 . . . . 0.0 112.344 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.888 ' HE3' HG13 ' A' ' 78' ' ' VAL . 3.1 pttt -90.43 149.22 22.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 75' ' ' LYS . 3.3 m -34.86 -54.42 0.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.795 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -136.05 168.18 19.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.888 HG13 ' HE3' ' A' ' 75' ' ' LYS . 2.0 t -140.04 130.15 29.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.107 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.772 ' O ' HG22 ' A' ' 144' ' ' VAL . 9.9 mtt180 -107.98 108.63 19.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -144.29 160.69 40.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.097 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.547 ' HG3' ' HB2' ' A' ' 102' ' ' ALA . 26.4 mttp -106.93 128.27 54.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -110.15 153.74 24.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.912 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.411 ' C ' ' HD2' ' A' ' 83' ' ' LYS . 4.9 tmmm? -145.87 125.73 13.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -101.02 140.63 35.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.907 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.421 ' CB ' ' HB2' ' A' ' 96' ' ' ALA . 89.8 p -155.54 149.55 25.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.658 HD11 HG21 ' A' ' 117' ' ' ILE . 24.0 mt -109.73 134.51 51.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.0 mt -98.12 106.94 19.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 48.1 p30 -57.82 -175.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.61 -32.24 65.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.12 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -86.15 16.34 4.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 58.42 25.81 58.43 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.467 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -100.5 143.9 30.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.854 0.359 . . . . 0.0 110.891 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -64.98 133.66 52.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.975 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.3 t -153.92 147.9 25.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.483 ' HE2' ' CE2' ' A' ' 121' ' ' PHE . 33.9 mmtt 49.84 49.26 20.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.421 ' HB2' ' CB ' ' A' ' 85' ' ' SER . . . -102.68 153.54 20.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.074 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 16.8 mtm -125.9 129.13 48.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -98.84 166.9 11.08 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.4 t -112.92 155.89 23.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 14.0 mp0 -76.15 -65.3 0.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.943 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 42.4 mtm180 -131.36 169.71 15.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.547 ' HB2' ' HG3' ' A' ' 81' ' ' LYS . . . -72.23 153.45 41.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.095 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -117.76 162.97 17.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 19.9 ttm180 -79.3 124.73 28.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.728 ' HB3' HD22 ' A' ' 70' ' ' LEU . 39.3 m-85 -113.4 125.93 54.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.938 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.524 HG22 ' HB2' ' A' ' 109' ' ' LYS . 11.3 m -134.47 142.4 40.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.168 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 106' ' ' VAL . 9.7 tt0 -36.14 93.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 106' ' ' VAL . . . 112.97 21.29 6.03 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.528 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.552 ' O ' HD12 ' A' ' 69' ' ' LEU . 23.1 tptt -105.38 150.68 25.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.749 0.309 . . . . 0.0 110.932 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -140.65 120.29 13.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 82.1 m95 -130.2 128.56 41.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -179.25 -146.88 6.94 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.501 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -126.89 149.41 49.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.923 0.392 . . . . 0.0 110.896 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.459 ' CG ' ' HB3' ' A' ' 60' ' ' SER . 12.8 ttmt -79.22 -52.88 7.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 65.4 mttt -100.96 99.87 10.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.533 ' CD2' HG22 ' A' ' 117' ' ' ILE . 14.5 t80 -85.47 -57.43 3.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.658 HG21 HD11 ' A' ' 86' ' ' ILE . 1.1 tt -166.83 145.51 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.14 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.457 ' N ' HG13 ' A' ' 117' ' ' ILE . 16.8 mtm180 -54.68 120.25 6.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.499 ' NH1' HD11 ' A' ' 123' ' ' LEU . 7.2 ttt-85 -57.33 -32.35 66.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -66.62 -25.83 66.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.483 ' CE2' ' HE2' ' A' ' 95' ' ' LYS . 44.8 t80 -72.44 -34.95 68.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.531 HD11 HG12 ' A' ' 117' ' ' ILE . 7.1 mp -69.16 -59.29 3.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.966 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.517 ' HA ' HD12 ' A' ' 130' ' ' LEU . 7.8 mt -59.52 -19.74 50.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -53.59 160.99 1.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -102.7 -33.72 9.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -45.28 -41.17 8.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.054 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.464 ' CB ' HD13 ' A' ' 129' ' ' LEU . 16.1 m-80 -89.57 -42.36 11.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 78.9 15.83 80.02 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.466 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.464 HD13 ' CB ' ' A' ' 127' ' ' ASN . 0.7 OUTLIER -43.19 -25.49 0.12 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.824 0.345 . . . . 0.0 110.924 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.517 HD12 ' HA ' ' A' ' 123' ' ' LEU . 2.5 mt -126.43 82.07 66.8 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.608 0.718 . . . . 0.0 110.912 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -26.01 28.14 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.697 2.265 . . . . 0.0 112.343 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -124.13 25.21 7.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 62.95 30.19 16.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 8.7 ptpt -130.51 124.24 31.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 12.3 tp -91.13 123.04 34.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 0.46 HG23 ' HG2' ' A' ' 15' ' ' MET . 54.1 m -101.38 103.97 14.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.107 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 13.4 mt -94.65 112.97 24.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.94 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . 0.556 ' CZ ' ' HB2' ' A' ' 13' ' ' SER . 19.0 t80 -98.2 108.95 21.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 43.8 t -109.08 139.47 43.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -125.61 117.0 22.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 18.9 t -112.39 128.0 69.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.103 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 16.1 m -113.49 110.9 21.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 51.4 t -84.07 129.1 38.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.772 HG22 ' O ' ' A' ' 79' ' ' ARG . 22.6 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.139 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.8 p . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.9 0.381 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 83.4 t -100.55 106.34 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.112 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.418 ' HB3' ' CB ' ' A' ' 142' ' ' SER . 0.0 OUTLIER -122.3 160.06 26.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.907 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -146.23 145.06 30.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.847 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.483 ' HB2' ' CE1' ' A' ' 138' ' ' PHE . 96.3 p -109.33 127.3 54.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.818 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -122.33 111.17 16.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.914 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 34.3 ttm -87.86 116.85 26.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.881 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.611 ' CE2' ' CG1' ' A' ' 18' ' ' ILE . 7.2 t90 -110.98 103.47 11.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 94.9 m -92.23 107.63 19.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.183 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.611 ' CG1' ' CE2' ' A' ' 16' ' ' TRP . 43.7 mt -90.87 98.11 7.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.122 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.451 ' O ' ' CG ' ' A' ' 20' ' ' ASN . 0.5 OUTLIER -63.16 146.29 53.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.924 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.451 ' CG ' ' O ' ' A' ' 19' ' ' ASN . 19.8 p30 46.66 50.37 13.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 53' ' ' PRO . 29.6 t80 -58.54 -20.48 46.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.424 ' HB2' ' CD2' ' A' ' 123' ' ' LEU . 27.2 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.81 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.863 0.363 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.591 HG23 ' CG ' ' A' ' 52' ' ' ASN . 10.2 p -140.93 153.02 20.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.158 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 92.3 mt -92.84 104.13 15.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.092 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.6 mtmt -87.31 129.87 34.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.454 ' HB3' ' CZ3' ' A' ' 16' ' ' TRP . 91.5 p -93.14 176.2 6.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.832 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.1 m -67.22 169.7 8.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 44.7 p -89.73 121.63 32.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.174 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -117.09 152.97 33.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 78.5 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.825 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.8 mptt . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.837 0.351 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.659 HD21 ' HZ2' ' A' ' 47' ' ' TRP . 16.3 tp -69.32 116.79 10.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.5 mmtp -114.33 163.97 14.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.659 ' HZ2' HD21 ' A' ' 45' ' ' LEU . 58.4 m95 -141.28 154.89 45.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 26.9 t -143.62 151.1 39.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.403 HD22 HD11 ' A' ' 66' ' ' LEU . 56.2 mt -107.64 136.19 47.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.508 ' HB3' HG21 ' A' ' 31' ' ' VAL . 55.5 mtp180 -111.01 105.81 14.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.548 HG13 HD11 ' A' ' 64' ' ' LEU . 55.3 t -106.7 134.19 49.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.163 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.591 ' CG ' HG23 ' A' ' 31' ' ' VAL . 1.2 m120 -126.65 101.98 26.38 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.632 0.729 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.569 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 53.9 Cg_endo -69.78 -33.59 16.24 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.7 2.266 . . . . 0.0 112.342 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.3 mttm -91.81 -14.54 29.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.82 161.87 21.06 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.527 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.0 mt -72.99 -51.63 17.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.814 0.34 . . . . 0.0 110.931 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -130.28 167.04 19.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -53.31 -16.53 1.35 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 54.7 tt0 -69.51 -44.95 70.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.8 t -118.72 40.81 3.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -90.56 -38.99 12.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.938 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -67.64 -34.19 76.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.587 ' CD2' ' HG2' ' A' ' 115' ' ' LYS . 14.3 m-85 -95.59 168.74 10.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.548 HD11 HG13 ' A' ' 51' ' ' VAL . 2.0 tm? -93.35 123.06 36.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 t -95.63 122.02 37.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.814 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.403 HD11 HD22 ' A' ' 49' ' ' LEU . 8.7 tp -129.55 114.08 15.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.537 ' CE2' ' O ' ' A' ' 113' ' ' PHE . 35.0 m-85 -125.51 140.15 53.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 29.6 tp -90.96 114.39 26.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.571 HD12 ' O ' ' A' ' 109' ' ' LYS . 6.1 tp -102.68 140.13 37.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.578 HD21 ' HB3' ' A' ' 73' ' ' CYS . 20.2 tp -88.41 86.32 7.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.944 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.543 HG13 ' H ' ' A' ' 72' ' ' SER . 0.2 OUTLIER -41.52 -63.42 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.861 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.543 ' H ' HG13 ' A' ' 71' ' ' VAL . 4.4 t -147.55 149.05 31.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.901 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.578 ' HB3' HD21 ' A' ' 70' ' ' LEU . 25.8 p -141.02 141.76 25.14 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.617 0.722 . . . . 0.0 110.93 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.473 ' CD ' ' HB2' ' A' ' 45' ' ' LEU . 54.1 Cg_endo -69.75 -37.13 9.62 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.681 2.254 . . . . 0.0 112.379 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 12.7 pttm -107.08 153.9 21.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 33.0 m -39.92 -71.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.856 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -113.58 153.45 28.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.7 p -144.87 135.4 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.763 ' O ' HG22 ' A' ' 144' ' ' VAL . 35.9 mtp180 -102.44 133.94 46.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -160.32 152.15 20.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.092 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.616 ' HG3' ' HB2' ' A' ' 102' ' ' ALA . 63.2 mttt -101.84 131.17 48.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.431 ' CZ ' ' HA2' ' A' ' 112' ' ' GLY . 52.9 p90 -113.75 148.99 35.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.42 ' CG ' ' HG2' ' A' ' 98' ' ' GLU . 1.0 OUTLIER -142.33 118.15 10.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.87 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -98.02 143.68 28.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.838 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 80.8 p -156.27 162.6 40.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.508 HD11 ' CE2' ' A' ' 116' ' ' PHE . 26.6 mt -123.06 130.71 74.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.145 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.3 mt -94.44 110.28 22.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.456 ' OD1' ' N ' ' A' ' 90' ' ' LYS . 28.8 p30 -61.21 -176.86 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -54.75 -30.67 57.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.123 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.456 ' N ' ' OD1' ' A' ' 88' ' ' ASN . 1.7 mppt? -90.1 19.25 5.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 57.05 27.49 57.28 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -101.08 137.25 39.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.833 0.349 . . . . 0.0 110.916 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -62.93 134.24 55.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 8.8 t -152.86 147.72 26.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.147 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.422 ' HE2' ' CE2' ' A' ' 121' ' ' PHE . 30.4 mmtm 50.83 52.44 14.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.869 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -101.01 160.41 14.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.09 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.537 ' SD ' ' CG ' ' A' ' 113' ' ' PHE . 5.8 ptp -129.45 140.79 51.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.957 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.42 ' HG2' ' CG ' ' A' ' 83' ' ' LYS . 20.8 mt-10 -119.38 149.13 42.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.91 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.6 t -94.19 153.57 18.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -78.6 -56.76 4.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.884 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 21.4 tpt180 -138.66 137.82 37.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.884 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.616 ' HB2' ' HG3' ' A' ' 81' ' ' LYS . . . -47.74 146.19 2.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.065 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -106.35 166.63 10.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 31.0 ttp180 -81.45 100.38 9.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -90.41 137.74 32.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.574 HG22 ' HB2' ' A' ' 109' ' ' LYS . 11.9 m -142.22 157.46 19.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.156 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -46.94 106.27 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 92.41 25.93 19.67 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.476 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.574 ' HB2' HG22 ' A' ' 106' ' ' VAL . 17.7 tptt -102.67 151.24 22.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.815 0.34 . . . . 0.0 110.92 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -133.73 125.0 27.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 82.0 m95 -141.49 131.45 24.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.431 ' HA2' ' CZ ' ' A' ' 82' ' ' PHE . . . 173.83 -141.09 5.83 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.46 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.537 ' O ' ' CE2' ' A' ' 67' ' ' TYR . 2.3 m-85 -121.17 162.21 20.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.898 0.38 . . . . 0.0 110.898 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 50.9 tttt -93.61 -49.65 5.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.587 ' HG2' ' CD2' ' A' ' 63' ' ' TYR . 7.4 mptt -111.52 96.3 6.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.508 ' CE2' HD11 ' A' ' 86' ' ' ILE . 12.0 t80 -78.34 -49.93 12.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.787 HD11 ' CD2' ' A' ' 121' ' ' PHE . 3.9 tt -174.08 145.37 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.151 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.595 ' O ' HD12 ' A' ' 122' ' ' LEU . 44.8 mtt180 -51.81 131.09 30.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.848 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.42 ' HA ' HD13 ' A' ' 122' ' ' LEU . 23.8 ttp180 -61.87 -32.24 72.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.99 -32.32 69.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.852 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.787 ' CD2' HD11 ' A' ' 117' ' ' ILE . 54.2 t80 -65.37 -19.68 66.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.673 HD11 HG23 ' A' ' 117' ' ' ILE . 5.7 mp -85.51 -56.13 3.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.424 ' CD2' ' HB2' ' A' ' 22' ' ' SER . 4.7 mt -65.18 -23.96 67.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -54.39 155.96 3.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -91.62 -38.46 12.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -40.59 -46.12 2.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.102 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.593 ' OD1' ' CZ ' ' A' ' 121' ' ' PHE . 20.5 m-80 -81.99 -44.74 16.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 72.6 34.21 60.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.496 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.637 HD12 ' HA ' ' A' ' 122' ' ' LEU . 56.5 mt -68.86 -22.86 64.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.881 0.372 . . . . 0.0 110.946 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.439 HD23 ' O ' ' A' ' 129' ' ' LEU . 3.3 mt -129.33 79.56 73.88 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.648 0.737 . . . . 0.0 110.936 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -18.39 37.24 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.692 2.261 . . . . 0.0 112.354 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -129.18 27.07 5.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 59.5 28.58 18.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -125.62 127.73 46.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 29.7 tp -93.54 119.54 32.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 41.9 m -98.88 98.66 9.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.085 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.426 ' CD1' HG21 ' A' ' 51' ' ' VAL . 11.0 mt -91.47 111.57 23.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . 0.483 ' CE1' ' HB2' ' A' ' 13' ' ' SER . 7.3 t80 -99.69 102.29 13.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 36.9 t -106.71 147.83 29.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.886 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -132.04 115.53 15.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 59.2 t -104.59 130.15 55.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.118 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . 0.418 ' CB ' ' HB3' ' A' ' 11' ' ' LYS . 13.8 m -120.82 114.58 21.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 64.0 t -86.24 125.19 40.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.13 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.763 HG22 ' O ' ' A' ' 79' ' ' ARG . 19.6 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.135 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.9 p . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.88 0.372 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 86.5 t -102.59 107.91 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.1 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.22 158.19 28.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 17.2 p90 -144.36 147.56 33.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.859 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.458 ' HB2' ' CE1' ' A' ' 138' ' ' PHE . 81.7 p -107.79 130.13 55.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -125.78 110.6 13.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.94 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 34.3 ttm -87.7 114.03 23.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.875 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.518 ' HZ3' HG23 ' A' ' 51' ' ' VAL . 8.2 t90 -110.02 98.6 7.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 98.6 m -87.49 122.83 31.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.411 HD11 ' CZ2' ' A' ' 16' ' ' TRP . 39.7 mt -101.14 101.93 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.177 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.03 132.45 45.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.484 ' OD1' ' N ' ' A' ' 20' ' ' ASN . 0.5 OUTLIER 69.21 51.16 0.53 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.504 ' CZ ' ' HB3' ' A' ' 53' ' ' PRO . 90.7 t80 -66.58 -46.17 76.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.8 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.836 -179.811 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.946 0.403 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.625 HG23 ' ND2' ' A' ' 52' ' ' ASN . 9.9 p -124.05 153.89 30.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.137 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.608 HD12 ' HD3' ' A' ' 53' ' ' PRO . 35.7 mt -108.41 102.82 14.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.11 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 55.3 mttt -84.99 134.87 34.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.416 ' HB3' ' CZ3' ' A' ' 16' ' ' TRP . 84.9 p -97.33 172.14 7.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.86 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 m -67.89 168.79 10.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 76.5 p -86.83 120.65 28.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -119.34 149.64 41.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.7 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.843 -179.772 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.5 mptt . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.811 0.339 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.712 HD22 ' NE1' ' A' ' 47' ' ' TRP . 2.6 tt -71.43 129.11 37.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.902 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.464 ' N ' HD23 ' A' ' 45' ' ' LEU . 39.1 mmtm -122.72 160.6 25.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.712 ' NE1' HD22 ' A' ' 45' ' ' LEU . 57.5 m95 -137.73 152.6 49.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 34.7 t -137.47 147.62 45.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.449 HD11 ' CB ' ' A' ' 139' ' ' CYS . 18.9 mt -113.98 125.07 53.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.499 ' CZ ' ' HB2' ' A' ' 69' ' ' LEU . 15.8 mtm180 -103.26 116.38 32.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.632 HG22 HD13 ' A' ' 66' ' ' LEU . 74.8 t -112.45 135.34 52.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.093 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.679 ' O ' HD22 ' A' ' 64' ' ' LEU . 1.4 m120 -129.94 101.54 18.18 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.646 0.736 . . . . 0.0 110.887 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.608 ' HD3' HD12 ' A' ' 32' ' ' ILE . 54.1 Cg_endo -69.67 -8.17 22.92 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.69 2.26 . . . . 0.0 112.384 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.8 tttp -121.92 6.19 9.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 72.7 -178.74 38.89 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.51 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 54.2 mt -95.8 -35.17 11.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.843 0.354 . . . . 0.0 110.952 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -135.54 171.44 14.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -58.75 -22.87 58.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.404 ' HG2' ' NZ ' ' A' ' 114' ' ' LYS . 12.4 tt0 -65.72 -62.74 1.34 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 28.1 t -100.48 40.78 1.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -84.4 -29.68 25.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.862 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -75.81 -26.7 57.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -99.02 170.23 8.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.679 HD22 ' O ' ' A' ' 52' ' ' ASN . 2.3 tm? -92.87 126.59 38.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.951 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.576 ' N ' HD13 ' A' ' 64' ' ' LEU . 3.7 t -103.08 108.01 19.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.632 HD13 HG22 ' A' ' 51' ' ' VAL . 27.1 tp -119.39 125.8 49.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.456 ' CE2' ' O ' ' A' ' 113' ' ' PHE . 47.0 m-85 -130.71 163.51 27.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.928 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.477 ' CD2' ' HB3' ' A' ' 82' ' ' PHE . 66.9 tp -116.63 99.51 7.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.499 ' HB2' ' CZ ' ' A' ' 50' ' ' ARG . 5.6 tp -91.18 136.35 33.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.687 HD23 ' C ' ' A' ' 106' ' ' VAL . 50.3 tp -83.79 83.2 8.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.552 HG13 ' H ' ' A' ' 72' ' ' SER . 0.2 OUTLIER -36.87 -64.29 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 179.831 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.552 ' H ' HG13 ' A' ' 71' ' ' VAL . 9.9 t -146.31 159.56 43.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.495 ' HB3' HD21 ' A' ' 70' ' ' LEU . 12.1 p -154.52 139.38 11.78 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.605 0.716 . . . . 0.0 110.896 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -51.27 0.4 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.711 2.274 . . . . 0.0 112.303 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.8 ptpt -79.91 152.12 29.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.3 m -46.07 -52.45 11.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -134.91 153.56 52.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.4 p -145.61 141.58 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.137 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.833 ' O ' HG22 ' A' ' 144' ' ' VAL . 42.1 mtp180 -113.4 135.87 53.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -159.88 156.9 28.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.076 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.439 ' HG3' ' HB2' ' A' ' 102' ' ' ALA . 77.4 mttt -102.22 128.85 48.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.477 ' HB3' ' CD2' ' A' ' 68' ' ' LEU . 51.6 p90 -108.79 141.38 40.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.539 ' HZ2' ' HB3' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -135.09 134.71 40.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.915 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -113.91 146.58 39.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.874 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 75.1 p -161.1 153.67 20.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.862 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 50.7 mt -116.41 132.83 64.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.147 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.3 mt -96.85 112.71 24.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.469 ' OD1' ' N ' ' A' ' 90' ' ' LYS . 23.2 p30 -62.18 -176.62 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.59 -32.03 64.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.081 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.469 ' N ' ' OD1' ' A' ' 88' ' ' ASN . 6.8 mptt -88.1 18.57 4.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.858 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 55.1 31.79 56.37 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.495 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -107.49 135.32 49.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.826 0.345 . . . . 0.0 110.889 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -53.95 137.5 39.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.403 HG21 HD11 ' A' ' 129' ' ' LEU . 9.9 t -161.03 143.84 12.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.562 ' HB3' HD12 ' A' ' 117' ' ' ILE . 28.3 mmtt 51.49 49.38 21.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -101.65 163.51 12.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.104 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.481 ' CE ' ' CD2' ' A' ' 113' ' ' PHE . 12.9 mtm -138.59 116.76 11.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.514 ' HB3' ' CG ' ' A' ' 83' ' ' LYS . 3.0 pt-20 -129.41 149.86 51.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 37.3 t -129.52 161.01 31.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -107.11 51.0 0.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.947 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 24.9 mtt180 -160.98 137.54 8.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.439 ' HB2' ' HG3' ' A' ' 81' ' ' LYS . . . -96.75 152.17 18.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -113.43 157.44 21.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.7 ttm105 -76.66 99.67 5.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.512 ' HB3' HD22 ' A' ' 70' ' ' LEU . 22.9 m-85 -89.63 141.84 28.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.687 ' C ' HD23 ' A' ' 70' ' ' LEU . 20.0 m -151.94 159.83 3.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.115 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -47.9 98.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 99.43 23.47 11.11 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.489 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.608 ' HB2' HG22 ' A' ' 106' ' ' VAL . 18.4 tptt -98.85 144.11 28.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.808 0.337 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -127.24 126.08 42.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 45.2 m95 -144.48 122.57 12.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.412 ' HA2' ' CE1' ' A' ' 82' ' ' PHE . . . 179.1 -152.16 10.91 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.526 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.481 ' CD2' ' CE ' ' A' ' 97' ' ' MET . 21.8 m-85 -119.33 156.41 30.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.916 0.388 . . . . 0.0 110.876 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.404 ' NZ ' ' HG2' ' A' ' 59' ' ' GLU . 12.1 tttm -88.83 -54.65 4.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 49.8 mttt -102.57 98.33 8.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -83.59 -57.34 3.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.582 ' CG2' HD21 ' A' ' 122' ' ' LEU . 4.8 tt -161.79 149.59 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -62.28 113.11 2.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 7.5 ttp180 -44.23 -44.63 8.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -49.04 -43.74 40.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.617 ' CE1' ' ND2' ' A' ' 127' ' ' ASN . 72.9 t80 -58.29 -43.04 87.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.582 HD21 ' CG2' ' A' ' 117' ' ' ILE . 13.4 mt -54.88 -63.3 1.2 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.89 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.515 ' N ' HD12 ' A' ' 123' ' ' LEU . 3.3 mp -62.37 -33.34 74.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 123' ' ' LEU . 9.6 t0 -34.37 141.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -84.69 -33.64 23.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -50.01 -37.98 35.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.095 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.617 ' ND2' ' CE1' ' A' ' 121' ' ' PHE . 35.7 m-80 -93.97 -44.75 7.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.86 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 71.81 43.78 49.6 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.518 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.489 ' CD2' ' HB2' ' A' ' 127' ' ' ASN . 3.5 mm? -63.39 -20.94 65.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.812 0.339 . . . . 0.0 110.863 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.3 mt -128.04 85.42 60.62 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.632 0.73 . . . . 0.0 110.943 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -30.27 22.55 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.686 2.257 . . . . 0.0 112.338 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -120.38 26.45 9.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 63.34 26.0 14.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -124.79 126.57 45.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 46.7 tp -89.15 104.47 17.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.959 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 58.3 m -82.66 99.38 9.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.143 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.411 ' CD1' HG21 ' A' ' 51' ' ' VAL . 7.4 mt -95.42 117.57 30.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . 0.458 ' CE1' ' HB2' ' A' ' 13' ' ' SER . 6.8 t80 -102.71 110.6 22.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' CYS . . . . . 0.449 ' CB ' HD11 ' A' ' 49' ' ' LEU . 18.7 t -112.91 141.96 46.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -126.41 112.86 16.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 59.1 t -103.25 128.71 56.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 16.1 m -118.35 112.17 19.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 59.0 t -84.16 132.27 31.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.833 HG22 ' O ' ' A' ' 79' ' ' ARG . 19.8 m . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.082 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.2 p . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.89 0.376 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 85.5 t -103.73 103.07 14.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.134 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.462 ' CB ' ' HA ' ' A' ' 142' ' ' SER . 0.0 OUTLIER -115.31 170.0 8.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.916 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -159.51 151.7 20.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 98.2 p -113.17 153.14 28.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.866 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -147.16 109.83 4.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.922 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.5 ' HE3' HD12 ' A' ' 87' ' ' LEU . 0.2 OUTLIER -84.62 126.49 33.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.544 ' NE1' ' CG1' ' A' ' 18' ' ' ILE . 6.0 t90 -121.33 100.21 6.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.933 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 59.5 m -93.15 100.37 12.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.141 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.544 ' CG1' ' NE1' ' A' ' 16' ' ' TRP . 70.6 mt -78.32 100.34 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.143 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.683 ' ND2' ' H ' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -67.61 131.82 46.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.924 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.484 ' OD1' ' N ' ' A' ' 20' ' ' ASN . 0.3 OUTLIER 69.04 50.82 0.56 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.418 ' CZ ' ' HB3' ' A' ' 53' ' ' PRO . 64.8 t80 -61.94 -53.56 54.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.3 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.776 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.847 0.356 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.66 HG23 ' ND2' ' A' ' 52' ' ' ASN . 7.3 p -139.54 149.26 22.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.103 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.0 mt -96.4 98.6 7.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.095 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.0 mtmt -93.12 123.24 36.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 81.0 p -82.7 175.34 10.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.853 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.9 m -65.55 167.7 8.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.851 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.9 p -83.8 120.73 26.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.165 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 10.8 p90 -112.33 166.96 10.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.1 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.773 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 46.1 mmtt . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.816 0.341 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.635 HD22 ' NE1' ' A' ' 47' ' ' TRP . 3.2 tt -59.65 126.86 29.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.926 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.552 ' N ' HD23 ' A' ' 45' ' ' LEU . 56.9 mmtt -116.04 155.77 27.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.635 ' NE1' HD22 ' A' ' 45' ' ' LEU . 70.6 m95 -132.41 152.32 51.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.884 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.403 ' SG ' HD23 ' A' ' 69' ' ' LEU . 19.8 p -141.37 142.53 33.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.889 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 49' ' ' LEU . 13.0 mt -103.1 132.71 49.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 21.6 mtt180 -109.91 102.17 10.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.663 HG22 HD12 ' A' ' 66' ' ' LEU . 60.2 t -106.34 134.76 46.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.66 ' ND2' HG23 ' A' ' 31' ' ' VAL . 4.8 m-80 -134.8 100.77 11.96 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.624 0.726 . . . . 0.0 110.905 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.842 ' HA ' HD22 ' A' ' 64' ' ' LEU . 54.5 Cg_endo -69.79 -43.47 2.62 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.649 2.232 . . . . 0.0 112.362 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.1 mttp -78.46 9.95 3.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.923 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 58.14 -173.87 2.82 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 22.5 mt -103.38 -49.93 3.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.833 0.349 . . . . 0.0 110.945 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.87 167.2 11.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -60.2 -10.34 4.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -78.1 -42.13 32.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.0 m -118.52 36.61 4.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.876 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.456 ' CG ' ' N ' ' A' ' 62' ' ' ASP . 2.9 ptmm? -77.74 -48.59 16.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.456 ' N ' ' CG ' ' A' ' 61' ' ' LYS . 32.4 m-20 -68.85 -19.48 64.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -98.55 159.57 14.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.842 HD22 ' HA ' ' A' ' 53' ' ' PRO . 0.1 OUTLIER -88.66 123.28 32.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.963 179.916 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.57 ' N ' HD13 ' A' ' 64' ' ' LEU . 17.7 t -104.26 117.04 33.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.663 HD12 HG22 ' A' ' 51' ' ' VAL . 8.9 tt -128.42 140.12 52.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.966 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.509 ' CE1' ' O ' ' A' ' 113' ' ' PHE . 59.8 m-85 -143.9 150.75 38.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.586 HD23 ' CZ ' ' A' ' 105' ' ' PHE . 50.0 tp -99.82 111.93 24.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.894 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.763 HD12 ' O ' ' A' ' 109' ' ' LYS . 8.6 tp -105.01 143.24 33.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.874 HD21 ' HB3' ' A' ' 73' ' ' CYS . 51.7 tp -91.78 82.48 5.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.582 HG13 ' H ' ' A' ' 72' ' ' SER . 1.3 p -34.12 -57.2 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.121 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.582 ' H ' HG13 ' A' ' 71' ' ' VAL . 20.1 m -155.58 152.59 28.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.835 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.874 ' HB3' HD21 ' A' ' 70' ' ' LEU . 30.5 p -141.19 144.75 35.79 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.634 0.73 . . . . 0.0 110.864 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -50.72 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.649 2.233 . . . . 0.0 112.322 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.9 pttm -92.26 167.5 11.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.93 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 t -45.01 -64.34 0.73 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -128.61 166.22 19.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.7 p -150.05 140.05 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.17 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.746 ' O ' HG22 ' A' ' 144' ' ' VAL . 18.6 mtp85 -105.18 133.14 50.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -161.39 156.1 23.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.082 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.615 ' HG3' ' HB2' ' A' ' 102' ' ' ALA . 25.2 mttp -102.2 143.18 32.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.535 ' HB3' HD22 ' A' ' 68' ' ' LEU . 24.2 p90 -122.3 146.07 47.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.469 ' CG ' ' HG2' ' A' ' 98' ' ' GLU . 3.2 tmmm? -139.81 114.91 9.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -98.27 137.86 36.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.501 ' CB ' ' HB2' ' A' ' 96' ' ' ALA . 93.2 p -152.91 164.53 37.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.616 HD11 HG21 ' A' ' 117' ' ' ILE . 36.1 mt -123.31 128.68 74.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.116 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.5 HD12 ' HE3' ' A' ' 15' ' ' MET . 7.7 mt -91.35 114.57 27.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.459 ' OD1' ' N ' ' A' ' 90' ' ' LYS . 25.9 p30 -61.94 178.1 0.39 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.676 ' HB2' ' O ' ' A' ' 128' ' ' GLY . . . -52.13 -30.18 25.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.102 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.459 ' N ' ' OD1' ' A' ' 88' ' ' ASN . 0.5 OUTLIER -89.71 19.22 4.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.76 32.23 61.63 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -106.59 137.51 44.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.854 0.359 . . . . 0.0 110.879 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -61.98 131.6 50.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.2 t -155.1 146.49 22.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.137 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 40.1 mmtt 54.27 51.71 13.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.501 ' HB2' ' CB ' ' A' ' 85' ' ' SER . . . -102.47 157.65 16.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.085 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.405 ' HE3' ' CD1' ' A' ' 113' ' ' PHE . 16.3 mtm -132.52 124.82 29.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.469 ' HG2' ' CG ' ' A' ' 83' ' ' LYS . 37.4 mt-10 -99.2 159.62 14.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 8.3 t -100.99 146.73 27.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -62.21 -60.28 3.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.432 ' O ' ' CD1' ' A' ' 103' ' ' TYR . 11.1 ttm180 -144.49 145.88 32.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.823 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.615 ' HB2' ' HG3' ' A' ' 81' ' ' LYS . . . -42.08 159.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.085 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.432 ' CD1' ' O ' ' A' ' 101' ' ' ARG . 8.9 m-85 -124.61 161.22 26.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 20.7 ttm180 -75.52 98.81 4.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.586 ' CZ ' HD23 ' A' ' 68' ' ' LEU . 20.7 m-85 -90.54 131.92 36.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.536 HG22 ' HB2' ' A' ' 109' ' ' LYS . 10.9 m -140.02 158.13 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.154 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -47.65 104.24 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 95.97 25.27 13.23 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.504 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.763 ' O ' HD12 ' A' ' 69' ' ' LEU . 15.6 tptt -101.6 146.03 28.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.759 0.314 . . . . 0.0 110.947 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.8 p-10 -132.6 122.41 24.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 76.0 m95 -134.46 125.47 27.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 177.08 -159.5 25.91 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.462 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.509 ' O ' ' CE1' ' A' ' 67' ' ' TYR . 56.6 m-85 -115.37 163.32 15.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.925 0.393 . . . . 0.0 110.916 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 28.6 tttp -90.99 -51.11 5.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 30.8 mttt -101.62 89.26 3.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.411 ' HB3' ' O ' ' A' ' 64' ' ' LEU . 9.6 t80 -75.48 -47.3 27.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.616 HG21 HD11 ' A' ' 86' ' ' ILE . 4.0 tt -173.61 145.58 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.101 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 31.4 mtt180 -61.65 108.42 0.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.451 ' HD2' ' CA ' ' A' ' 53' ' ' PRO . 31.2 mtp180 -45.5 -43.63 11.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -46.99 -40.11 13.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.806 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.667 ' CD2' HD11 ' A' ' 129' ' ' LEU . 47.1 t80 -63.88 -35.85 81.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.884 ' HA ' HD12 ' A' ' 129' ' ' LEU . 8.6 mp -69.63 -58.42 3.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.956 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.455 ' N ' HD12 ' A' ' 123' ' ' LEU . 6.7 mp -55.94 -15.55 3.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -75.68 122.38 23.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -70.72 -33.52 70.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -46.65 -31.67 3.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.13 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.593 ' OD1' ' CE1' ' A' ' 121' ' ' PHE . 50.1 m-80 -86.17 -37.91 18.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . 0.676 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . 92.82 -9.47 75.47 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.465 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.884 HD12 ' HA ' ' A' ' 122' ' ' LEU . 42.9 mt -40.87 -32.8 0.25 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.824 0.345 . . . . 0.0 110.886 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.737 HD23 ' O ' ' A' ' 129' ' ' LEU . 11.6 mt -134.37 88.5 29.84 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.603 0.716 . . . . 0.0 110.907 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -34.42 14.7 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.696 2.264 . . . . 0.0 112.37 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -125.13 22.64 7.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 70.45 41.57 0.97 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.514 ' O ' HD22 ' A' ' 130' ' ' LEU . 4.4 mtpt -121.79 130.75 53.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.595 HD21 HD23 ' A' ' 122' ' ' LEU . 1.3 tm? -94.64 94.03 7.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 22.5 m -87.7 98.62 11.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.573 HD12 HD12 ' A' ' 135' ' ' LEU . 1.2 mt -97.04 120.02 36.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -102.84 101.81 11.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.833 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 51.1 t -105.05 153.7 21.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -139.25 113.79 9.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 50.1 t -102.0 127.1 55.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.11 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . 0.462 ' HA ' ' CB ' ' A' ' 11' ' ' LYS . 14.8 m -112.17 108.19 17.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 35.8 t -87.44 126.13 41.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.746 HG22 ' O ' ' A' ' 79' ' ' ARG . 16.6 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.105 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.1 t -76.99 -49.39 15.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.853 0.359 . . . . 0.0 110.894 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.8 p -104.8 102.72 12.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.875 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.16 -135.79 5.39 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.485 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.9 t -89.07 149.53 23.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.869 0.366 . . . . 0.0 110.885 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.1 t -104.67 -61.06 1.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.831 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.2 -171.18 13.94 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.458 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -95.49 156.77 16.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.784 0.326 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.408 ' O ' HG13 ' A' ' 9' ' ' VAL . 7.1 p -135.29 124.24 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.101 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 78.8 t -89.68 108.45 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.94 155.82 29.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -158.18 140.01 13.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.573 ' HB2' ' CZ ' ' A' ' 138' ' ' PHE . 81.3 p -108.31 151.14 26.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.807 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.447 ' CB ' ' CD2' ' A' ' 37' ' ' PHE . 9.7 t80 -141.36 117.03 10.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.937 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.492 ' HG2' HG23 ' A' ' 136' ' ' THR . 30.9 ttm -84.74 122.25 28.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.557 ' CZ2' HD11 ' A' ' 18' ' ' ILE . 10.1 t90 -117.89 102.92 9.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 38.6 m -95.92 109.94 22.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.101 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.557 HD11 ' CZ2' ' A' ' 16' ' ' TRP . 33.9 mt -90.62 98.85 8.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.64 128.3 35.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 73.14 49.54 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.923 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -62.38 -29.41 70.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.5 t -81.41 -4.21 55.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -100.25 -1.71 35.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.8 m -54.55 106.49 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -90.42 43.21 1.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.463 ' N ' ' OE1' ' A' ' 26' ' ' GLU . 12.2 mp0 -100.99 143.88 30.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -64.07 -177.72 0.29 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 9.3 ptm -85.12 20.86 1.79 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -137.16 -31.59 0.25 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.492 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -64.18 162.0 15.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.878 0.371 . . . . 0.0 110.872 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.825 HG21 ' HB3' ' A' ' 50' ' ' ARG . 9.5 p -134.09 151.12 31.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.144 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 46.2 mt -104.41 112.02 36.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.166 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 38.6 mttt -96.42 126.18 41.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 84.5 p -90.47 163.2 14.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.0 m -51.61 173.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.807 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 48.6 p -90.46 130.85 36.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.155 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.447 ' CD2' ' CB ' ' A' ' 14' ' ' TYR . 2.5 p90 -123.04 145.4 48.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.5 p -135.08 -178.82 5.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 45.3 t -59.53 -43.65 93.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -173.76 -82.93 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.462 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.24 178.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.774 0.321 . . . . 0.0 111.126 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -78.63 48.88 0.83 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -47.78 150.56 1.04 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -73.61 -31.97 63.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.953 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.1 tp -80.39 109.98 15.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 43.7 mmtt -108.61 167.54 9.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 55.9 m95 -145.1 153.89 41.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.482 ' SG ' HD23 ' A' ' 69' ' ' LEU . 5.3 p -142.9 156.75 44.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.431 HD21 ' SG ' ' A' ' 139' ' ' CYS . 80.0 mt -116.98 133.87 55.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.825 ' HB3' HG21 ' A' ' 31' ' ' VAL . 30.3 mtp180 -111.77 102.84 11.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.574 HG22 ' HG ' ' A' ' 66' ' ' LEU . 47.2 t -104.26 146.01 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.769 ' OD1' HG23 ' A' ' 31' ' ' VAL . 4.4 m120 -129.98 106.21 16.63 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.656 0.741 . . . . 0.0 110.862 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.558 ' HA ' HD12 ' A' ' 64' ' ' LEU . 53.5 Cg_endo -69.78 -49.47 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.672 2.248 . . . . 0.0 112.335 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.6 mttt -83.34 22.31 1.04 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.05 175.6 11.59 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.496 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.8 tp -113.23 -41.35 3.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.794 0.331 . . . . 0.0 110.882 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -123.49 174.32 7.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -74.5 -13.31 60.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -82.48 -36.62 26.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 75.5 p -118.32 31.54 6.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.902 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -67.92 -28.79 67.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -77.39 -39.46 47.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.598 ' CD2' ' HG2' ' A' ' 118' ' ' ARG . 3.6 m-85 -92.71 173.41 7.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.558 HD12 ' HA ' ' A' ' 53' ' ' PRO . 5.2 tp -89.7 145.45 25.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 m -116.3 99.23 7.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 1.057 HD23 ' N ' ' A' ' 67' ' ' TYR . 5.8 tt -107.98 148.24 29.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 1.057 ' N ' HD23 ' A' ' 66' ' ' LEU . 78.4 m-85 -154.78 143.81 20.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.957 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.622 HD22 ' HB3' ' A' ' 82' ' ' PHE . 34.7 tp -93.0 112.88 24.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.919 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.482 HD23 ' SG ' ' A' ' 48' ' ' CYS . 6.1 tp -104.14 140.71 37.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.65 HD21 ' HB3' ' A' ' 73' ' ' CYS . 41.4 tp -89.23 84.0 6.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.619 HG13 ' H ' ' A' ' 72' ' ' SER . 0.4 OUTLIER -37.37 -64.29 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.832 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.619 ' H ' HG13 ' A' ' 71' ' ' VAL . 18.2 t -147.1 149.92 34.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.65 ' HB3' HD21 ' A' ' 70' ' ' LEU . 25.6 p -142.24 144.7 32.41 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.606 0.717 . . . . 0.0 110.888 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -48.54 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.657 2.238 . . . . 0.0 112.341 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.3 pttt -93.79 165.56 12.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.6 m -46.32 -71.48 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -119.45 158.96 25.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -144.88 137.94 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.155 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.9 mtt180 -105.23 132.36 51.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -159.83 158.48 31.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 61.1 mttt -103.85 135.9 44.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.622 ' HB3' HD22 ' A' ' 68' ' ' LEU . 44.4 p90 -116.05 154.28 30.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.516 ' CG ' ' HB3' ' A' ' 98' ' ' GLU . 0.0 OUTLIER -148.09 120.2 8.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -99.97 140.87 33.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 92.4 p -153.12 156.0 37.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 34.5 mt -114.85 128.68 71.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.179 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 mt -95.01 108.37 20.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.489 ' OD1' ' N ' ' A' ' 90' ' ' LYS . 27.8 p30 -57.77 179.41 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -54.65 -25.31 26.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.052 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.489 ' N ' ' OD1' ' A' ' 88' ' ' ASN . 0.8 OUTLIER -94.27 19.4 9.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.951 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.44 28.73 56.05 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.493 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -102.76 142.36 34.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.814 0.34 . . . . 0.0 110.901 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -68.21 133.54 49.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.4 t -156.91 139.32 14.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.159 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.561 ' HE2' ' CE2' ' A' ' 121' ' ' PHE . 31.6 mmtm 59.47 43.92 15.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.88 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -95.75 147.49 23.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.096 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.541 ' HE3' ' CD2' ' A' ' 113' ' ' PHE . 20.6 mtm -120.76 111.9 18.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.827 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.516 ' HB3' ' CG ' ' A' ' 83' ' ' LYS . 3.0 pt-20 -120.23 148.38 43.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.1 t -131.86 141.9 49.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -91.39 45.08 1.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.957 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -146.35 137.88 24.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -100.73 137.52 39.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -108.3 163.78 12.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.914 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -82.38 119.46 24.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.576 ' CZ ' HD23 ' A' ' 68' ' ' LEU . 33.8 m-85 -108.61 136.11 48.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.634 HG22 ' HB2' ' A' ' 109' ' ' LYS . 17.1 m -143.15 149.43 18.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.134 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -41.78 95.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 106' ' ' VAL . . . 108.55 18.64 9.4 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.492 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.634 ' HB2' HG22 ' A' ' 106' ' ' VAL . 14.4 tptt -102.0 135.23 43.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.768 0.318 . . . . 0.0 110.863 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -121.74 125.16 45.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 88.5 m95 -137.1 132.92 34.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 178.83 -142.87 5.58 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.482 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.541 ' CD2' ' HE3' ' A' ' 97' ' ' MET . 20.1 m-85 -132.16 152.58 51.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.938 0.399 . . . . 0.0 110.887 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 19.9 tttt -78.98 -54.59 5.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -103.23 95.86 6.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -88.22 -49.67 6.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.486 HG13 ' N ' ' A' ' 118' ' ' ARG . 8.2 tp -159.29 153.21 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.138 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.598 ' HG2' ' CD2' ' A' ' 63' ' ' TYR . 18.2 mtt180 -74.83 117.03 16.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 22.3 ttp180 -51.48 -38.01 51.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -65.77 -23.11 66.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.561 ' CE2' ' HE2' ' A' ' 95' ' ' LYS . 31.0 t80 -75.7 -42.94 49.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.939 ' HA ' HD12 ' A' ' 129' ' ' LEU . 5.8 mp -59.72 -56.34 23.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 9.1 mt -58.21 -18.92 29.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -59.92 142.44 53.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -82.17 -36.07 27.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.855 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -46.09 -43.04 14.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.12 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.554 ' OD1' ' CZ ' ' A' ' 121' ' ' PHE . 51.0 m-80 -83.04 -41.6 18.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 70.8 29.17 69.66 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.465 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.939 HD12 ' HA ' ' A' ' 122' ' ' LEU . 45.8 mt -62.96 -22.67 66.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.872 0.368 . . . . 0.0 110.909 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.698 HD23 ' O ' ' A' ' 129' ' ' LEU . 2.7 mt -134.21 85.26 39.58 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.595 0.712 . . . . 0.0 110.904 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -25.44 28.44 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.676 2.251 . . . . 0.0 112.341 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -133.39 26.71 4.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 66.36 32.07 7.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -113.8 120.02 39.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.726 HD11 ' HG ' ' A' ' 137' ' ' LEU . 3.5 tm? -93.16 101.55 13.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.492 HG23 ' HG2' ' A' ' 15' ' ' MET . 85.0 m -93.74 103.98 16.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.123 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.726 ' HG ' HD11 ' A' ' 135' ' ' LEU . 5.7 mt -101.33 110.41 22.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . 0.573 ' CZ ' ' HB2' ' A' ' 13' ' ' SER . 29.1 t80 -91.37 105.74 17.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.857 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' CYS . . . . . 0.431 ' SG ' HD21 ' A' ' 49' ' ' LEU . 51.7 t -103.28 149.83 24.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -135.14 117.99 16.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 20.7 t -110.6 135.33 50.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.136 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 10.7 m -126.01 108.37 11.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.83 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 91.4 t -84.72 124.38 39.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.125 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 144' ' ' VAL . 29.8 m -68.31 123.18 21.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . 0.413 ' HB3' HG22 ' A' ' 148' ' ' VAL . 23.8 mt-30 -125.47 166.67 16.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.946 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . 0.574 ' O ' HG13 ' A' ' 148' ' ' VAL . 0.8 OUTLIER -121.7 82.43 1.94 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 146' ' ' ASP . 25.8 p 35.12 38.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.574 HG13 ' O ' ' A' ' 146' ' ' ASP . 27.0 m -93.55 122.87 45.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -128.9 98.07 4.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . 0.572 HD12 ' H ' ' A' ' 150' ' ' ILE . 4.5 mp -83.63 122.89 38.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.161 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 23.3 t -119.21 155.26 32.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . -109.03 -101.05 2.67 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.521 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 55.15 38.86 31.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.796 0.331 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 4.6 m -83.76 165.91 18.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -63.95 154.76 46.33 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.474 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 -43.14 2.75 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.661 2.24 . . . . 0.0 112.31 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 19.9 m 45.07 41.95 6.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.853 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 30.7 p -97.08 170.44 9.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.495 -179.956 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.2 t -65.45 129.52 40.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.918 0.389 . . . . 0.0 110.794 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.2 m -153.71 176.33 12.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.832 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.7 43.65 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.534 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.3 t -105.88 116.46 31.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.877 0.37 . . . . 0.0 110.846 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.8 m -147.79 109.79 4.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.834 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.65 -107.89 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.451 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 52.8 tttt -66.47 151.09 47.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.803 0.335 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 143' ' ' VAL . 7.2 p -140.19 125.1 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.108 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 99.5 t -87.63 110.19 20.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.02 157.34 27.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 11.2 p90 -153.39 143.56 22.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.466 ' HB2' ' CE1' ' A' ' 138' ' ' PHE . 80.7 p -107.59 126.91 53.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.831 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -120.29 116.87 26.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 30.3 ttm -93.88 122.23 36.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.879 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.601 ' CZ2' HD11 ' A' ' 18' ' ' ILE . 8.7 t90 -118.44 100.4 7.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.948 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 85.3 m -91.64 108.93 20.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.183 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.601 HD11 ' CZ2' ' A' ' 16' ' ' TRP . 38.5 mt -88.68 103.98 14.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.146 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.452 ' C ' ' CG ' ' A' ' 20' ' ' ASN . 0.5 OUTLIER -66.13 147.53 53.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.452 ' CG ' ' C ' ' A' ' 19' ' ' ASN . 0.7 OUTLIER 48.58 47.42 20.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.935 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -61.06 -16.36 42.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.8 m -80.35 -12.53 59.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.849 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -110.35 17.88 20.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.0 m -42.51 103.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.414 ' C ' ' HD2' ' A' ' 25' ' ' ARG . 2.8 tmm_? -49.09 -53.31 21.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -39.51 129.12 1.91 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.6 mp0 -97.74 -176.25 3.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.87 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.459 ' N ' ' HD3' ' A' ' 54' ' ' LYS . 15.0 tpp -45.71 129.83 9.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 96.33 -62.36 1.22 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.501 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -43.62 165.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.925 0.393 . . . . 0.0 110.881 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.509 HG23 ' ND2' ' A' ' 52' ' ' ASN . 7.5 p -137.13 151.19 26.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.158 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 55.3 mt -101.2 107.1 20.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.6 mttt -91.18 130.77 37.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.403 ' HB3' ' CE3' ' A' ' 16' ' ' TRP . 89.9 p -93.27 176.31 6.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 m -63.5 177.68 0.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.432 HG22 HG11 ' A' ' 71' ' ' VAL . 31.1 p -97.23 120.89 38.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.167 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 12.8 p90 -119.61 139.13 52.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 65.3 p -131.69 177.02 7.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 35.7 p -67.35 -44.52 78.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.838 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -130.29 -162.01 10.6 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.496 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -91.79 -41.65 10.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.807 0.337 . . . . 0.0 111.095 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -93.81 45.47 1.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -111.66 99.5 8.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp -52.48 -21.96 4.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.658 HD21 ' HZ2' ' A' ' 47' ' ' TRP . 19.4 tp -82.66 123.96 29.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.945 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.1 mmtm -118.56 167.96 11.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.658 ' HZ2' HD21 ' A' ' 45' ' ' LEU . 62.2 m95 -147.9 151.39 35.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.926 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.444 ' SG ' ' N ' ' A' ' 49' ' ' LEU . 29.0 t -138.32 161.69 36.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.478 HD22 HD11 ' A' ' 66' ' ' LEU . 22.8 mt -118.78 128.45 54.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.481 HH11 HD13 ' A' ' 69' ' ' LEU . 55.7 mtp180 -107.14 105.7 15.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.813 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.2 t -104.41 138.96 26.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.057 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.509 ' ND2' HG23 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -130.85 102.23 16.36 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.602 0.715 . . . . 0.0 110.857 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 52' ' ' ASN . 53.5 Cg_endo -69.79 -46.04 1.36 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.683 2.256 . . . . 0.0 112.333 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.459 ' HD3' ' N ' ' A' ' 28' ' ' MET . 7.7 mtpt -81.46 -14.19 57.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.874 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.35 177.8 51.98 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.459 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.588 HD22 ' N ' ' A' ' 56' ' ' LEU . 2.5 mm? -76.11 -47.1 25.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.817 0.341 . . . . 0.0 110.904 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -143.98 177.62 8.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.839 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -51.3 -22.49 2.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -61.8 -57.17 12.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.938 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 81.8 p -98.73 40.94 1.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.809 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -84.82 -34.32 22.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -70.57 -47.03 62.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.823 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.432 ' CD2' ' CG ' ' A' ' 115' ' ' LYS . 2.6 m-85 -97.53 162.77 13.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.497 HD23 ' N ' ' A' ' 65' ' ' SER . 9.8 tt -89.22 154.88 19.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.915 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.497 ' N ' HD23 ' A' ' 64' ' ' LEU . 1.0 OUTLIER -119.55 122.94 42.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.627 HD12 ' N ' ' A' ' 67' ' ' TYR . 5.0 tp -131.17 125.38 32.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.627 ' N ' HD12 ' A' ' 66' ' ' LEU . 61.7 m-85 -133.4 143.75 49.1 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 17.5 tp -93.68 105.38 17.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.929 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.481 HD13 HH11 ' A' ' 50' ' ' ARG . 6.5 tp -94.98 145.89 24.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.803 HD21 ' HB3' ' A' ' 73' ' ' CYS . 12.6 tp -95.01 84.87 4.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.578 HG13 ' H ' ' A' ' 72' ' ' SER . 0.2 OUTLIER -38.96 -63.65 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 179.822 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.578 ' H ' HG13 ' A' ' 71' ' ' VAL . 43.0 t -147.01 144.54 29.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.803 ' HB3' HD21 ' A' ' 70' ' ' LEU . 28.2 p -137.01 143.81 43.8 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.613 0.72 . . . . 0.0 110.891 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.412 ' HD2' HD13 ' A' ' 45' ' ' LEU . 53.8 Cg_endo -69.76 -46.82 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.666 2.244 . . . . 0.0 112.375 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.1 pttm -97.07 157.1 16.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.1 m -40.81 -69.77 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.816 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -118.02 159.2 23.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -147.28 141.25 19.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.132 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.4 mtp-105 -110.57 131.95 54.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -159.34 158.39 32.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.066 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.523 ' HG3' ' HB2' ' A' ' 102' ' ' ALA . 56.5 mttt -102.96 135.36 44.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -121.31 148.08 44.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.406 ' C ' ' HD2' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -138.56 127.82 24.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -106.71 142.8 35.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.847 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.471 ' HB3' ' CB ' ' A' ' 96' ' ' ALA . 23.5 p -157.03 163.37 39.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.551 HD11 HG21 ' A' ' 117' ' ' ILE . 26.3 mt -123.22 136.46 59.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.14 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.1 mt -98.62 109.47 22.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.578 ' HA ' HD13 ' A' ' 129' ' ' LEU . 41.1 p30 -60.26 -176.6 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.941 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.436 ' HB2' ' O ' ' A' ' 128' ' ' GLY . . . -55.71 -29.27 59.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.075 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.405 ' N ' ' OD1' ' A' ' 88' ' ' ASN . 1.3 mppt? -88.9 16.49 6.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 55.78 30.06 55.86 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.453 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -105.94 134.75 48.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.817 0.341 . . . . 0.0 110.903 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -54.83 132.73 46.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.518 HG21 HD11 ' A' ' 129' ' ' LEU . 5.7 t -153.52 149.43 27.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.163 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.521 ' HE2' ' CE1' ' A' ' 121' ' ' PHE . 34.0 mmtm 50.39 52.72 14.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.471 ' CB ' ' HB3' ' A' ' 85' ' ' SER . . . -103.9 152.74 21.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.088 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 19.6 mtm -126.71 120.1 28.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -93.88 157.65 16.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 28.5 t -100.63 157.99 16.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.453 ' NE2' ' HB3' ' A' ' 101' ' ' ARG . 3.4 pp0? -87.95 -38.01 15.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.941 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.453 ' HB3' ' NE2' ' A' ' 100' ' ' GLN . 37.7 ttt180 -153.73 164.01 39.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.523 ' HB2' ' HG3' ' A' ' 81' ' ' LYS . . . -72.9 160.12 32.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -119.71 163.98 16.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.949 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 15.8 ttm180 -82.36 96.19 7.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -87.28 148.78 24.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.609 HG22 ' HB2' ' A' ' 109' ' ' LYS . 13.8 m -153.58 145.66 14.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.121 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 106' ' ' VAL . 5.9 tt0 -37.69 97.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 106' ' ' VAL . . . 103.87 23.23 8.33 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.492 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.609 ' HB2' HG22 ' A' ' 106' ' ' VAL . 19.7 tptt -103.27 144.48 31.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.828 0.347 . . . . 0.0 110.872 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -130.47 121.04 25.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 94.9 m95 -133.24 134.66 44.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 169.19 -159.43 32.4 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.46 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -117.77 137.83 52.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.894 0.378 . . . . 0.0 110.866 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -66.1 -62.2 1.62 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.432 ' CG ' ' CD2' ' A' ' 63' ' ' TYR . 1.3 mptm? -87.01 91.44 8.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.447 ' CD2' HG22 ' A' ' 117' ' ' ILE . 10.1 t80 -78.86 -52.11 8.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.551 HG21 HD11 ' A' ' 86' ' ' ILE . 2.1 tt -170.96 146.68 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.114 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.409 ' HG2' ' CD1' ' A' ' 63' ' ' TYR . 25.1 mtt180 -54.64 119.51 5.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.42 ' HA ' HD13 ' A' ' 122' ' ' LEU . 14.3 ttt180 -53.83 -45.57 70.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -51.18 -41.1 59.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.525 ' CE1' ' ND2' ' A' ' 127' ' ' ASN . 12.8 t80 -52.52 -38.95 60.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' ' 119' ' ' ARG . 6.8 mp -64.85 -55.42 19.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.706 HD13 HD12 ' A' ' 130' ' ' LEU . 1.9 mm? -70.04 -11.53 60.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -58.48 149.36 25.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -89.81 -33.85 16.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.41 -36.92 64.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.525 ' ND2' ' CE1' ' A' ' 121' ' ' PHE . 13.8 m-20 -93.23 -44.54 8.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.436 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . 69.24 44.19 67.22 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.524 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.578 HD13 ' HA ' ' A' ' 88' ' ' ASN . 1.9 mm? -64.6 -23.66 67.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.843 0.354 . . . . 0.0 110.94 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.706 HD12 HD13 ' A' ' 123' ' ' LEU . 1.7 mt -127.43 85.63 60.45 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.64 0.733 . . . . 0.0 110.876 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -22.71 31.7 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.675 2.25 . . . . 0.0 112.357 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -130.07 25.51 5.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 64.32 27.29 13.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -125.72 122.66 36.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 16.9 tp -88.44 114.18 24.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 95.2 m -96.18 95.22 7.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 7.4 mt -87.97 124.18 33.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . 0.466 ' CE1' ' HB2' ' A' ' 13' ' ' SER . 10.2 t80 -107.6 105.83 15.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 34.3 t -107.18 153.76 22.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -140.04 119.2 12.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 24.2 t -108.75 134.48 50.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.117 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.5 m -123.54 108.52 12.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.582 ' O ' HG23 ' A' ' 9' ' ' VAL . 59.4 t -84.62 128.23 39.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.15 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 144' ' ' VAL . 24.7 m -77.56 128.0 38.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.142 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 60.9 mm-40 -113.62 -175.0 2.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.948 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -84.19 150.78 25.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 70.1 p -53.45 156.12 2.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 33.4 m -151.72 163.46 2.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.099 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -108.84 134.3 51.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 70.8 mt -104.12 136.3 37.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.099 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 2.5 t -141.1 127.49 19.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . -167.49 100.5 0.17 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.481 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -109.3 149.68 29.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.826 0.346 . . . . 0.0 110.906 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 33.1 t -175.11 149.22 1.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -97.16 144.26 17.23 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.467 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -177.83 2.04 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.652 2.235 . . . . 0.0 112.399 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 1.8 t -161.79 132.56 5.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.829 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -133.5 154.55 50.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.837 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.488 179.991 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.0 t -104.44 -43.8 5.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.886 0.374 . . . . 0.0 110.863 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.4 p -49.15 150.29 1.71 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.42 -118.43 4.62 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.494 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -152.42 158.28 42.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.85 0.357 . . . . 0.0 110.888 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.3 m -150.81 172.11 16.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.817 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.32 -163.05 51.61 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.462 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.478 ' HD2' ' N ' ' A' ' 9' ' ' VAL . 0.2 OUTLIER -77.4 151.69 34.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.817 0.341 . . . . 0.0 110.864 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.478 ' N ' ' HD2' ' A' ' 8' ' ' LYS . 7.4 p -138.94 127.63 28.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.482 HG23 ' HG3' ' A' ' 145' ' ' GLN . 68.6 t -88.55 100.82 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.127 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.53 155.48 26.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -153.68 140.8 19.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.479 ' HB2' ' CE1' ' A' ' 138' ' ' PHE . 97.0 p -109.8 130.14 55.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.832 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -123.85 121.86 36.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.933 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 38.5 ttm -92.7 119.63 32.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.924 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.605 ' CZ2' HD11 ' A' ' 18' ' ' ILE . 10.0 t90 -115.26 109.28 17.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 85.4 m -102.97 125.67 49.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.116 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.605 HD11 ' CZ2' ' A' ' 16' ' ' TRP . 32.2 mt -107.73 100.66 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.66 ' ND2' ' H ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -65.37 134.24 53.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 52.2 m-20 62.92 45.9 5.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.459 ' CZ ' ' HB3' ' A' ' 53' ' ' PRO . 69.7 t80 -47.38 -19.86 0.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.3 t -86.72 19.8 2.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.669 ' CD1' ' C ' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -101.56 -34.95 9.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.432 ' N ' ' CD1' ' A' ' 23' ' ' PHE . 78.3 m -57.47 91.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -107.5 42.7 1.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -71.4 178.07 3.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 28' ' ' MET . 32.0 mp0 -97.05 156.25 16.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.407 ' C ' ' O ' ' A' ' 27' ' ' GLU . 5.6 ttm -37.94 133.52 0.86 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.85 -54.87 0.91 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.465 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -38.55 133.36 1.04 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.857 0.36 . . . . 0.0 110.897 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.608 HG23 ' ND2' ' A' ' 52' ' ' ASN . 12.3 p -126.2 162.1 30.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.091 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.532 ' N ' HG22 ' A' ' 31' ' ' VAL . 17.0 mt -109.81 117.56 54.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -100.08 108.59 20.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.556 ' HB3' ' CZ3' ' A' ' 16' ' ' TRP . 28.9 p -71.8 152.1 42.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 61.4 m -44.88 170.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.859 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.572 HG22 HG11 ' A' ' 71' ' ' VAL . 37.9 p -86.2 129.32 34.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.141 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -118.71 139.57 51.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.8 p -137.9 159.76 41.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.5 t -52.35 -66.13 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.833 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -96.66 -122.93 4.32 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.502 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -129.75 -53.7 1.15 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.833 0.349 . . . . 0.0 111.114 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -82.32 40.07 0.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -90.41 120.29 31.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.828 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 49.6 mmtt -68.75 -40.98 79.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.51 HD21 ' HZ2' ' A' ' 47' ' ' TRP . 32.4 tp -72.83 120.18 18.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 48.0 mmtt -116.03 160.57 20.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.51 ' HZ2' HD21 ' A' ' 45' ' ' LEU . 70.4 m95 -139.3 153.78 47.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.464 ' SG ' HD23 ' A' ' 69' ' ' LEU . 21.9 p -143.25 144.09 32.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.859 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 77.1 mt -100.62 136.38 40.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.403 ' HB3' HG21 ' A' ' 31' ' ' VAL . 18.8 mtp180 -107.87 102.66 11.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.853 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.595 HG22 ' HG ' ' A' ' 66' ' ' LEU . 88.2 t -104.28 140.33 22.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.608 ' ND2' HG23 ' A' ' 31' ' ' VAL . 39.5 m-80 -133.37 102.03 13.09 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.629 0.728 . . . . 0.0 110.881 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.485 ' HA ' HD23 ' A' ' 64' ' ' LEU . 53.8 Cg_endo -69.79 -32.87 17.61 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.707 2.271 . . . . 0.0 112.302 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.1 tttp -89.97 -14.37 34.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 86.27 162.09 36.38 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.486 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 31.2 mt -81.23 -54.95 5.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.85 0.357 . . . . 0.0 110.929 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -129.25 177.87 6.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -59.39 -12.91 6.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -74.15 -45.24 49.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 89.2 p -120.02 43.43 2.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.834 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.3 ptmm? -87.18 -33.51 19.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -82.15 -29.24 31.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.498 ' CE1' ' HG2' ' A' ' 118' ' ' ARG . 21.1 m-85 -97.67 166.84 11.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.969 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.549 HD22 ' O ' ' A' ' 52' ' ' ASN . 3.1 tm? -92.94 122.86 35.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.3 t -100.47 123.88 45.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.595 ' HG ' HG22 ' A' ' 51' ' ' VAL . 6.3 tt -135.18 113.69 11.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -114.6 168.19 10.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.759 HD23 ' CZ ' ' A' ' 105' ' ' PHE . 49.3 tp -110.09 100.13 9.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.901 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.783 HD12 ' O ' ' A' ' 109' ' ' LYS . 11.5 tp -90.29 141.29 28.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.809 HD23 ' C ' ' A' ' 106' ' ' VAL . 55.4 tp -93.91 87.6 5.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.572 HG11 HG22 ' A' ' 36' ' ' THR . 0.2 OUTLIER -42.83 -63.25 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.097 179.878 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.564 ' H ' HG13 ' A' ' 71' ' ' VAL . 3.3 m -146.41 147.7 31.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.823 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.704 ' HB3' HD21 ' A' ' 70' ' ' LEU . 28.8 p -137.8 143.05 38.62 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.606 0.717 . . . . 0.0 110.874 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.448 ' HD2' HD13 ' A' ' 45' ' ' LEU . 53.4 Cg_endo -69.79 -43.51 2.59 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.684 2.256 . . . . 0.0 112.315 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.9 pttm -101.49 162.11 13.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.921 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 72.1 m -41.41 -64.15 0.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.407 ' CB ' HG12 ' A' ' 106' ' ' VAL . 9.1 pt-20 -130.03 153.2 48.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.7 p -139.97 136.42 38.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.167 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 23.0 mtt-85 -104.18 133.94 48.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -160.64 160.09 31.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.09 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.443 ' HG3' ' HB2' ' A' ' 102' ' ' ALA . 34.8 mttm -103.09 155.55 18.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.578 ' HB3' HD22 ' A' ' 68' ' ' LEU . 23.9 p90 -139.53 155.63 47.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.824 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.8 tmmm? -147.99 116.75 6.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -97.95 138.19 35.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 77.4 p -149.27 162.32 40.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.83 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.494 HD11 HG21 ' A' ' 117' ' ' ILE . 30.8 mt -120.93 133.28 68.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.101 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.0 mt -96.86 106.01 18.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.652 ' ND2' ' H ' ' A' ' 92' ' ' GLU . 0.4 OUTLIER -57.66 -174.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.2 -31.39 61.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.88 9.53 9.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 62.58 20.85 61.98 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.652 ' H ' ' ND2' ' A' ' 88' ' ' ASN . 5.4 mm-40 -101.69 142.71 32.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.785 0.326 . . . . 0.0 110.908 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -58.57 137.88 57.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.1 t -157.44 136.11 11.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 47.0 mmtt 61.88 46.55 6.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -91.95 168.49 11.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.636 ' CE ' ' CG ' ' A' ' 113' ' ' PHE . 12.1 mtm -140.87 117.68 11.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -88.72 161.7 16.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 30.3 t -109.08 137.52 46.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.833 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -67.74 -63.19 1.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.923 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 13.2 ttp180 -130.52 160.22 34.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.443 ' HB2' ' HG3' ' A' ' 81' ' ' LYS . . . -70.25 168.85 14.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.089 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -130.12 173.74 10.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.934 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 -86.72 97.6 10.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.759 ' CZ ' HD23 ' A' ' 68' ' ' LEU . 38.7 m-85 -91.35 118.17 30.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.809 ' C ' HD23 ' A' ' 70' ' ' LEU . 15.1 m -127.65 166.6 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.133 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -51.95 118.1 3.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 80.5 20.8 65.65 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.497 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.783 ' O ' HD12 ' A' ' 69' ' ' LEU . 22.7 tptt -102.14 163.57 12.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.792 0.329 . . . . 0.0 110.919 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.427 ' OD1' ' C ' ' A' ' 68' ' ' LEU . 6.6 t0 -148.46 136.12 20.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.572 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 96.9 m95 -150.81 124.57 9.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.558 ' HA2' ' CZ ' ' A' ' 82' ' ' PHE . . . -176.7 -127.69 1.06 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.636 ' CG ' ' CE ' ' A' ' 97' ' ' MET . 66.5 m-85 -132.07 146.45 52.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.923 0.392 . . . . 0.0 110.914 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 8.7 tttp -76.52 -59.58 2.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -103.33 102.62 12.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -78.88 -54.16 6.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.494 HG21 HD11 ' A' ' 86' ' ' ILE . 2.1 tt -168.76 145.25 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.094 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.498 ' HG2' ' CE1' ' A' ' 63' ' ' TYR . 15.4 mtt180 -49.87 118.97 3.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.446 ' HE ' HD11 ' A' ' 123' ' ' LEU . 17.0 ttp180 -52.54 -42.49 64.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -53.67 -42.75 68.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.593 ' CZ ' ' OD1' ' A' ' 127' ' ' ASN . 13.7 t80 -53.19 -42.65 66.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.572 ' HA ' HD12 ' A' ' 129' ' ' LEU . 7.8 mp -59.52 -62.41 1.9 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.928 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.446 HD11 ' HE ' ' A' ' 119' ' ' ARG . 4.5 mt -59.41 -30.37 68.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -49.52 150.52 1.91 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -93.81 -35.41 12.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -42.79 -43.19 3.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.593 ' OD1' ' CZ ' ' A' ' 121' ' ' PHE . 8.1 m-20 -84.25 -40.58 17.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 69.66 38.55 77.82 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.466 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.572 HD12 ' HA ' ' A' ' 122' ' ' LEU . 50.3 mt -70.37 -24.09 62.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.81 0.338 . . . . 0.0 110.905 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.6 mt -126.0 82.93 64.01 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.611 0.72 . . . . 0.0 110.905 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -35.12 13.18 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.692 2.261 . . . . 0.0 112.309 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -112.2 25.06 11.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 61.04 35.87 18.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt -133.9 130.16 37.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.88 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 46.4 tp -93.68 112.56 24.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 76.1 m -92.5 95.53 9.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.414 HD22 ' CD1' ' A' ' 66' ' ' LEU . 17.9 mt -88.78 116.81 27.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.914 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . 0.479 ' CE1' ' HB2' ' A' ' 13' ' ' SER . 8.3 t80 -103.46 111.25 23.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 16.6 t -113.7 147.7 37.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.845 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -133.3 114.99 14.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.859 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 48.2 t -103.61 139.17 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 19.9 m -131.99 107.65 8.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.467 ' O ' HG23 ' A' ' 9' ' ' VAL . 64.6 t -84.14 130.64 35.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.111 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 25.6 m -73.57 132.01 34.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.14 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . 0.482 ' HG3' HG23 ' A' ' 10' ' ' VAL . 61.9 mm-40 -123.12 177.44 5.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -102.84 155.91 18.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.822 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 22.6 p -61.97 141.07 58.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 17.2 m -127.34 160.6 36.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.159 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -117.38 88.22 2.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 19.5 mt -74.52 134.11 30.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.176 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 40.3 p -146.14 172.75 12.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.878 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . -157.28 -166.67 17.17 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.513 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 58.6 mm-40 -129.19 111.4 12.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.771 0.319 . . . . 0.0 110.915 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 44.0 p -52.81 118.45 3.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.836 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 122.32 -156.22 16.95 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.494 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 94.87 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.737 2.291 . . . . 0.0 112.331 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 78.0 p -91.98 115.74 28.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 3.4 m -47.94 119.78 3.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.479 -179.968 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.435 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 1' ' ' GLY . 16.4 m -35.47 110.84 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.86 0.362 . . . . 0.0 110.876 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.3 m -117.61 166.82 11.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.74 92.36 0.49 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.529 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 t -132.78 91.22 2.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.904 0.383 . . . . 0.0 110.868 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.2 m -88.47 109.98 20.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.858 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.58 -164.55 12.5 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.487 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.453 ' HD3' ' N ' ' A' ' 9' ' ' VAL . 5.4 tmtm? -68.15 149.0 50.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.864 0.364 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 143' ' ' VAL . 7.3 p -137.48 134.33 46.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.108 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.42 ' HB ' ' NE2' ' A' ' 145' ' ' GLN . 84.0 t -97.44 107.25 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.172 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.25 156.06 28.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 12.8 p90 -141.28 146.18 36.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 89.6 p -114.19 125.99 54.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -118.07 115.31 24.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 36.6 ttm -88.14 114.33 24.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.55 ' CZ2' HD11 ' A' ' 18' ' ' ILE . 7.5 t90 -108.04 99.7 9.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 41.2 m -97.35 120.29 37.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.134 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.55 HD11 ' CZ2' ' A' ' 16' ' ' TRP . 34.3 mt -102.92 99.99 9.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.663 ' ND2' ' H ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -60.37 135.63 57.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.477 ' N ' ' O ' ' A' ' 133' ' ' ASP . 46.3 t-20 57.21 51.66 9.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -57.11 -11.91 1.87 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.3 t -71.1 -28.04 64.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.824 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.658 ' CD1' ' C ' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -72.89 -33.12 65.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.858 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 63.4 m -40.99 98.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.2 tpt180 -116.74 37.53 3.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.427 ' HG3' ' CB ' ' A' ' 30' ' ' GLU . 6.1 tp10 -48.01 120.3 3.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -49.56 170.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 5.5 tpt -62.05 135.04 57.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.863 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.2 -46.51 3.65 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.501 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.427 ' CB ' ' HG3' ' A' ' 26' ' ' GLU . 68.3 mm-40 -46.36 167.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.862 0.363 . . . . 0.0 110.895 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.616 HG21 ' HB3' ' A' ' 50' ' ' ARG . 12.8 p -153.67 150.77 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 68.2 mt -92.52 103.43 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.148 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? -87.12 109.87 19.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 84.1 p -72.02 156.79 38.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.2 t -52.86 -174.83 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 43.6 p -98.65 127.19 44.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.188 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -124.95 151.03 45.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 99.4 p -132.81 -178.5 4.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.791 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.4 t -72.63 -50.78 22.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.835 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -145.74 -133.57 2.57 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.538 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.424 ' O ' ' N ' ' A' ' 43' ' ' ASP . . . -40.24 154.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.827 0.346 . . . . 0.0 111.08 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -41.19 95.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 41' ' ' ALA . 53.7 m-20 -96.68 130.16 43.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.83 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt -43.74 -44.97 6.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.743 HD21 ' HZ2' ' A' ' 47' ' ' TRP . 44.0 tp -74.15 125.68 28.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -121.23 168.88 11.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.743 ' HZ2' HD21 ' A' ' 45' ' ' LEU . 49.8 m95 -149.41 147.46 28.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.938 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.5 p -137.59 153.51 49.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.52 HD22 HD21 ' A' ' 66' ' ' LEU . 29.5 mt -110.78 135.95 50.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.616 ' HB3' HG21 ' A' ' 31' ' ' VAL . 35.7 mtp180 -111.23 106.43 15.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.839 HG13 HD11 ' A' ' 64' ' ' LEU . 74.0 t -108.01 131.29 58.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.574 ' O ' HD22 ' A' ' 64' ' ' LEU . 0.5 OUTLIER -119.95 101.8 47.3 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.582 0.706 . . . . 0.0 110.906 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.488 ' HA ' ' CD2' ' A' ' 64' ' ' LEU . 53.5 Cg_endo -69.8 -28.84 24.57 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.713 2.275 . . . . 0.0 112.304 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.3 tttm -96.94 -11.35 24.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.885 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.93 160.34 20.77 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.484 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 85.0 mt -72.91 -54.81 7.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.843 0.354 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -126.77 166.35 17.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -53.66 -15.14 1.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -68.48 -42.34 78.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 51.4 p -124.53 51.15 1.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.854 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.3 ptmt -94.04 -34.12 13.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 62' ' ' ASP . 18.4 p-10 -74.18 -22.12 59.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.851 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.597 ' CD2' ' HG2' ' A' ' 115' ' ' LYS . 14.3 m-85 -105.95 170.43 7.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.839 HD11 HG13 ' A' ' 51' ' ' VAL . 2.7 tm? -96.7 125.9 41.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.919 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.429 ' N ' HD13 ' A' ' 64' ' ' LEU . 1.1 t -102.55 110.64 22.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.724 ' HG ' HG22 ' A' ' 51' ' ' VAL . 5.8 tt -119.73 115.77 24.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -121.5 147.59 45.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.817 HD22 ' HB3' ' A' ' 82' ' ' PHE . 15.9 tp -97.36 114.61 26.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.954 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.68 HD12 ' O ' ' A' ' 109' ' ' LYS . 6.9 tp -107.35 147.95 29.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.956 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.864 HD21 ' HB3' ' A' ' 73' ' ' CYS . 35.7 tp -96.37 88.75 4.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.569 HG13 ' H ' ' A' ' 72' ' ' SER . 0.2 OUTLIER -41.45 -65.65 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.835 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.569 ' H ' HG13 ' A' ' 71' ' ' VAL . 4.4 m -143.21 144.75 32.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.864 ' HB3' HD21 ' A' ' 70' ' ' LEU . 27.1 p -134.96 143.45 46.19 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.645 0.736 . . . . 0.0 110.851 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.497 ' HD2' HD13 ' A' ' 45' ' ' LEU . 53.8 Cg_endo -69.77 -49.51 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.642 2.228 . . . . 0.0 112.362 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.2 pttm -93.29 164.39 13.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.868 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.7 t -45.89 -61.69 1.63 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -128.32 158.44 38.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.5 p -143.24 140.28 26.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.138 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.533 ' O ' HG22 ' A' ' 144' ' ' VAL . 35.4 mtp180 -106.35 130.3 54.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -161.44 153.35 19.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.05 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.485 ' CD ' ' HB2' ' A' ' 102' ' ' ALA . 0.8 OUTLIER -107.41 136.96 46.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.817 ' HB3' HD22 ' A' ' 68' ' ' LEU . 31.5 p90 -115.95 159.43 21.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.403 ' C ' ' HD2' ' A' ' 83' ' ' LYS . 1.4 tmmt? -147.66 116.43 6.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -97.92 128.59 44.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.433 ' CB ' ' HB2' ' A' ' 96' ' ' ALA . 85.0 p -141.7 167.52 21.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.406 HD11 ' CE2' ' A' ' 116' ' ' PHE . 19.9 mt -126.03 133.45 68.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.0 mt -97.81 101.22 12.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.972 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.598 ' ND2' ' H ' ' A' ' 92' ' ' GLU . 0.3 OUTLIER -58.97 -175.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.48 -26.24 41.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.424 ' CB ' ' HG3' ' A' ' 92' ' ' GLU . 7.1 mptt -88.05 12.31 13.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.43 24.92 47.89 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.5 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.598 ' H ' ' ND2' ' A' ' 88' ' ' ASN . 6.5 mt-10 -105.97 140.47 38.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.841 0.353 . . . . 0.0 110.879 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -58.62 131.24 50.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.7 t -145.29 146.38 31.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.143 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.455 ' HE3' ' CE2' ' A' ' 121' ' ' PHE . 29.4 mmtt 48.98 47.56 21.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.433 ' HB2' ' CB ' ' A' ' 85' ' ' SER . . . -94.26 154.77 17.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.064 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.63 ' HE2' ' CD2' ' A' ' 113' ' ' PHE . 5.0 ptp -122.43 120.51 34.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -98.35 166.43 11.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 40.9 t -118.08 155.88 29.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.817 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -78.32 -59.39 2.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.937 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 78.4 mtt180 -131.62 -175.75 3.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.485 ' HB2' ' CD ' ' A' ' 81' ' ' LYS . . . -93.41 145.02 24.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.08 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -106.55 173.99 6.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -84.72 110.58 18.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.449 ' CZ ' HD23 ' A' ' 68' ' ' LEU . 25.0 m-85 -102.51 117.23 34.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.439 HG22 ' HB2' ' A' ' 109' ' ' LYS . 16.9 m -124.65 147.66 29.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -42.2 99.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 108.23 19.8 8.7 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.541 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.68 ' O ' HD12 ' A' ' 69' ' ' LEU . 14.6 tptt -104.69 143.19 33.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.799 0.333 . . . . 0.0 110.936 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -128.39 124.11 35.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.854 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 66.3 m95 -137.16 135.33 37.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.959 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 169.72 -153.69 22.14 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.428 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.63 ' CD2' ' HE2' ' A' ' 97' ' ' MET . 2.3 m-85 -114.11 153.08 30.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.93 0.395 . . . . 0.0 110.849 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 27.4 tttp -83.71 -55.84 4.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.91 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.597 ' HG2' ' CD2' ' A' ' 63' ' ' TYR . 2.6 mptt -101.48 95.16 6.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.406 ' CE2' HD11 ' A' ' 86' ' ' ILE . 11.0 t80 -79.99 -47.15 15.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.706 HD11 ' CD2' ' A' ' 121' ' ' PHE . 3.2 tt -174.62 145.26 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.109 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.538 ' HG2' ' CD1' ' A' ' 63' ' ' TYR . 15.9 mtt85 -57.32 120.13 7.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 10.2 ttp180 -49.23 -40.16 32.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -61.98 -39.56 92.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.706 ' CD2' HD11 ' A' ' 117' ' ' ILE . 37.1 t80 -59.03 -24.0 62.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.441 HD21 ' CG2' ' A' ' 117' ' ' ILE . 10.6 mt -77.42 -61.7 1.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.802 HD13 HD12 ' A' ' 130' ' ' LEU . 3.1 mm? -59.86 -27.27 66.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.45 ' HB2' ' ND2' ' A' ' 127' ' ' ASN . 22.9 m-20 -54.01 127.36 26.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -69.32 -36.53 77.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -43.99 -35.49 2.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.132 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.599 ' OD1' ' CZ ' ' A' ' 121' ' ' PHE . 1.4 m-80 -90.98 -30.81 16.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 69.46 3.16 38.54 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.45 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.646 ' O ' HD23 ' A' ' 130' ' ' LEU . 0.8 OUTLIER -41.05 -28.2 0.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.818 0.342 . . . . 0.0 110.942 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.802 HD12 HD13 ' A' ' 123' ' ' LEU . 6.0 mt -128.96 84.5 62.89 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.621 0.724 . . . . 0.0 110.94 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -31.15 21.15 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.684 2.256 . . . . 0.0 112.362 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -120.92 24.82 10.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' ' 20' ' ' ASN . 7.6 m-20 65.22 31.78 10.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -126.42 129.46 48.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 50.0 tp -92.8 96.32 10.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 85.9 m -75.81 95.31 3.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.404 HD13 HD11 ' A' ' 66' ' ' LEU . 15.2 mt -90.18 112.22 23.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.896 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -100.89 104.94 16.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 29.9 t -107.36 144.99 33.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -131.12 124.52 30.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 40.9 t -112.66 136.18 49.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.105 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -121.95 111.29 16.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.567 ' O ' HG23 ' A' ' 9' ' ' VAL . 67.7 t -85.84 120.21 35.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.195 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.74 HG23 ' O ' ' A' ' 144' ' ' VAL . 28.7 m -81.93 96.96 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.162 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . 0.42 ' NE2' ' HB ' ' A' ' 10' ' ' VAL . 5.7 pt20 -123.5 161.21 25.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -60.49 158.1 12.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 2.4 m -66.71 91.94 0.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.818 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -81.03 -34.7 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.121 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 38.42 41.38 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 29.6 mm -88.85 90.86 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 77.5 p -157.87 137.04 11.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.849 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 174.38 -66.56 0.11 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.517 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 39.9 tp60 -164.08 129.26 2.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.794 0.33 . . . . 0.0 110.939 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 21.4 t -50.32 135.86 21.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . 0.4 ' HA3' ' HD2' ' A' ' 156' ' ' PRO . . . -87.12 -148.28 13.1 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.473 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . 0.4 ' HD2' ' HA3' ' A' ' 155' ' ' GLY . 53.9 Cg_endo -69.75 -17.35 37.67 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.705 2.27 . . . . 0.0 112.39 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 23.3 m -76.49 157.03 32.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 15.3 t -155.43 153.07 29.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.802 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.47 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.9 t -150.82 134.68 16.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.914 0.388 . . . . 0.0 110.811 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.8 m 39.08 49.08 1.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.825 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.97 -56.03 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.528 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.426 ' HB2' ' N ' ' A' ' 146' ' ' ASP . 88.9 p -174.89 110.16 0.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.897 0.379 . . . . 0.0 110.85 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -135.13 148.37 49.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.85 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.17 -110.65 1.92 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.4 tptm -63.87 144.48 57.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.857 0.36 . . . . 0.0 110.863 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 143' ' ' VAL . 7.1 p -141.41 126.91 18.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.474 ' HB ' ' NE2' ' A' ' 145' ' ' GLN . 79.6 t -99.24 110.51 26.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.122 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.39 158.12 25.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.923 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -145.78 149.82 35.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.515 ' HB2' ' CZ ' ' A' ' 138' ' ' PHE . 81.0 p -110.01 137.54 47.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -132.36 117.39 18.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 36.4 ttm -89.01 113.0 24.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.468 ' CZ2' HD11 ' A' ' 18' ' ' ILE . 9.7 t90 -105.5 99.93 9.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.7 m -91.58 110.87 22.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.196 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.468 HD11 ' CZ2' ' A' ' 16' ' ' TRP . 23.8 mt -94.67 99.84 10.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.467 ' ND2' ' H ' ' A' ' 19' ' ' ASN . 0.6 OUTLIER -70.16 136.59 50.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 24.8 m-20 61.67 46.71 6.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.635 ' HZ ' HD12 ' A' ' 64' ' ' LEU . 73.0 t80 -61.24 -18.73 59.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 60.0 p -93.89 17.51 12.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -124.68 -3.16 7.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 26' ' ' GLU . 56.5 m -59.43 -23.83 62.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 24' ' ' CYS . 32.9 mmt180 33.46 35.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 24' ' ' CYS . 4.3 tt0 -50.24 155.74 0.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.426 ' HG2' ' CG ' ' A' ' 30' ' ' GLU . 6.4 pt-20 -97.29 -178.32 4.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.1 tpt -84.67 105.23 15.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 108.9 28.32 4.52 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.485 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.426 ' CG ' ' HG2' ' A' ' 27' ' ' GLU . 7.3 mm-40 -127.32 163.7 23.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.851 0.358 . . . . 0.0 110.932 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.657 HG23 ' CG ' ' A' ' 52' ' ' ASN . 5.2 p -141.42 162.89 21.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.422 ' N ' HG22 ' A' ' 31' ' ' VAL . 64.7 mt -114.23 116.6 53.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.151 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.3 mttt -96.85 131.22 43.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 95.8 p -94.67 -178.37 4.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 m -69.93 173.69 6.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.858 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 72.3 p -97.84 125.73 42.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.105 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.421 ' CD1' ' N ' ' A' ' 37' ' ' PHE . 3.1 p90 -122.21 145.8 47.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.851 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.479 ' HB3' ' CE ' ' A' ' 46' ' ' LYS . 61.0 p -138.09 151.92 48.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.4 t -42.85 -38.18 2.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.16 43.86 3.95 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.502 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 42' ' ' ASN . . . -131.66 74.4 1.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.856 0.36 . . . . 0.0 111.087 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 41' ' ' ALA . 13.6 m-80 36.68 51.17 0.89 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -119.2 173.11 7.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 41.5 mmtt -122.38 -27.21 4.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.944 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.654 HD21 ' CZ2' ' A' ' 47' ' ' TRP . 44.1 tp -54.41 123.74 13.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.479 ' CE ' ' HB3' ' A' ' 38' ' ' SER . 3.5 mmpt? -111.15 167.99 9.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.887 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.654 ' CZ2' HD21 ' A' ' 45' ' ' LEU . 73.9 m95 -147.6 148.83 31.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 24.4 t -143.79 151.74 40.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.481 HD22 HD21 ' A' ' 66' ' ' LEU . 81.2 mt -109.09 142.98 39.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.559 ' HB3' HG21 ' A' ' 31' ' ' VAL . 46.5 mtp180 -118.01 104.73 11.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.654 HG22 ' HG ' ' A' ' 66' ' ' LEU . 50.2 t -103.91 145.05 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.123 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.657 ' CG ' HG23 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -134.99 102.09 11.19 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.663 0.744 . . . . 0.0 110.831 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 52' ' ' ASN . 53.4 Cg_endo -69.82 -4.91 15.03 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.716 2.278 . . . . 0.0 112.341 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.0 tttt -130.36 0.8 4.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 70.06 -167.68 48.55 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.505 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.632 HD22 ' N ' ' A' ' 56' ' ' LEU . 1.9 mm? -97.01 -43.56 7.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.794 0.33 . . . . 0.0 110.94 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.49 ' CG ' ' N ' ' A' ' 58' ' ' GLU . 13.8 t70 -133.51 171.78 13.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.49 ' N ' ' CG ' ' A' ' 57' ' ' ASP . 10.8 mp0 -52.03 -24.42 6.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -53.91 -60.61 3.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.886 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 18.8 t -105.29 50.44 0.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -87.4 -32.48 19.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -72.08 -43.69 64.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.434 ' CD1' ' HG2' ' A' ' 115' ' ' LYS . 0.2 OUTLIER -93.33 167.13 11.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.827 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.635 HD12 ' HZ ' ' A' ' 21' ' ' PHE . 9.1 tt -94.76 149.46 21.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.914 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.471 ' N ' HD23 ' A' ' 64' ' ' LEU . 1.8 t -116.65 125.55 51.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.807 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.654 ' HG ' HG22 ' A' ' 51' ' ' VAL . 5.1 tt -129.87 114.6 16.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -119.43 144.47 46.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.745 HD22 ' HB3' ' A' ' 82' ' ' PHE . 16.8 tp -94.13 106.34 18.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.923 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.678 HD12 ' O ' ' A' ' 109' ' ' LYS . 7.1 tp -99.21 145.4 27.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.845 HD21 ' HB3' ' A' ' 73' ' ' CYS . 47.5 tp -93.73 84.09 4.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.549 HG13 ' H ' ' A' ' 72' ' ' SER . 0.2 OUTLIER -35.26 -65.66 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 179.895 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.549 ' H ' HG13 ' A' ' 71' ' ' VAL . 8.7 m -145.85 145.68 30.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.845 ' HB3' HD21 ' A' ' 70' ' ' LEU . 30.4 p -139.16 140.9 27.82 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.592 0.711 . . . . 0.0 110.926 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -47.97 0.83 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.662 2.241 . . . . 0.0 112.389 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.6 pttt -90.91 157.25 17.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 70.8 m -43.17 -66.69 0.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -120.78 159.72 24.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.864 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.5 p -150.5 134.95 9.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.155 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.653 ' O ' HG22 ' A' ' 144' ' ' VAL . 40.7 mtt180 -104.27 135.96 44.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.868 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -160.66 156.22 25.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.174 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.413 ' HG3' ' HB2' ' A' ' 102' ' ' ALA . 36.4 mttm -103.92 138.73 40.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.745 ' HB3' HD22 ' A' ' 68' ' ' LEU . 51.8 p90 -124.83 154.52 40.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.0 tmmm? -147.86 120.31 8.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -98.11 141.96 30.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.58 ' HB2' ' HB2' ' A' ' 96' ' ' ALA . 18.0 p -156.37 145.68 20.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.549 HD11 HG21 ' A' ' 117' ' ' ILE . 47.6 mt -106.12 123.92 61.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.112 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.0 mt -88.55 115.34 26.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.445 ' C ' ' OD1' ' A' ' 88' ' ' ASN . 37.4 p30 -65.75 -176.67 0.39 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -52.73 -36.82 58.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.108 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.465 ' HD2' ' N ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -85.09 17.28 3.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 57.76 27.91 59.65 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.494 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -99.91 134.24 43.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.817 0.342 . . . . 0.0 110.866 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -58.35 133.75 55.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.459 HG22 ' O ' ' A' ' 86' ' ' ILE . 4.0 t -155.37 141.37 18.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.126 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.43 ' HB3' HD12 ' A' ' 117' ' ' ILE . 20.1 mmmt 59.75 40.16 19.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.58 ' HB2' ' HB2' ' A' ' 85' ' ' SER . . . -91.66 162.22 14.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.048 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.457 ' HE3' ' CD1' ' A' ' 113' ' ' PHE . 23.5 mtm -139.91 140.86 36.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -115.2 162.76 16.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.5 t -103.01 147.4 26.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -59.44 -42.67 92.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 46.5 ptt85 -162.85 174.56 12.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.413 ' HB2' ' HG3' ' A' ' 81' ' ' LYS . . . -68.62 153.86 42.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.083 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -123.07 170.85 9.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 48.3 ttt-85 -89.69 108.86 19.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.47 ' CZ ' HD23 ' A' ' 68' ' ' LEU . 63.1 m-85 -98.62 150.15 22.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.87 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.508 HG22 ' HB2' ' A' ' 109' ' ' LYS . 13.2 m -152.65 148.25 14.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.136 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -39.19 97.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.945 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 106' ' ' VAL . . . 105.29 22.28 8.32 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.483 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.678 ' O ' HD12 ' A' ' 69' ' ' LEU . 11.4 tptt -101.88 142.12 33.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.819 0.343 . . . . 0.0 110.866 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -128.27 123.37 33.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.871 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 77.4 m95 -134.23 131.89 39.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 171.69 -152.89 18.71 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.457 ' CD1' ' HE3' ' A' ' 97' ' ' MET . 15.4 m-85 -123.82 144.89 49.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.92 0.39 . . . . 0.0 110.869 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 24.4 tttp -72.14 -56.25 5.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.936 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.434 ' HG2' ' CD1' ' A' ' 63' ' ' TYR . 16.9 mttp -98.28 94.54 6.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.677 ' CD2' HG22 ' A' ' 117' ' ' ILE . 14.4 t80 -80.95 -56.09 4.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.677 HG22 ' CD2' ' A' ' 116' ' ' PHE . 3.0 tt -161.62 147.4 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.099 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.431 ' HG2' ' CD2' ' A' ' 63' ' ' TYR . 16.3 mtt180 -57.75 118.44 5.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 16.2 ttp180 -51.52 -32.77 29.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -63.0 -38.39 90.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.531 ' CZ ' ' OD1' ' A' ' 127' ' ' ASN . 6.1 t80 -58.63 -36.44 74.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.784 ' HA ' HD12 ' A' ' 129' ' ' LEU . 6.5 mp -69.11 -54.44 14.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.928 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.3 mt -67.73 -22.05 65.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.474 ' OD2' ' HB3' ' A' ' 126' ' ' ALA . 19.4 t70 -54.98 158.95 2.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -99.76 -32.73 10.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.474 ' HB3' ' OD2' ' A' ' 124' ' ' ASP . . . -52.25 -31.9 34.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.531 ' OD1' ' CZ ' ' A' ' 121' ' ' PHE . 41.0 m-20 -94.16 -32.78 13.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 58.03 42.08 94.8 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.518 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.784 HD12 ' HA ' ' A' ' 122' ' ' LEU . 69.6 mt -73.58 -20.01 60.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.848 0.356 . . . . 0.0 110.957 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.74 HD23 ' O ' ' A' ' 129' ' ' LEU . 1.9 mt -130.12 81.08 69.59 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.616 0.722 . . . . 0.0 110.923 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -21.4 33.24 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.656 2.238 . . . . 0.0 112.337 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -129.62 26.59 5.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 64.69 25.35 13.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 2.6 ptpt -123.48 132.86 54.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 15.1 tp -97.52 114.18 26.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 93.2 m -90.68 95.83 10.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.206 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 10.5 mt -93.6 113.57 25.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . 0.515 ' CZ ' ' HB2' ' A' ' 13' ' ' SER . 17.2 t80 -99.5 105.89 17.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 29.6 t -106.95 146.09 31.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -130.32 114.3 15.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 20.3 t -103.72 133.88 46.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 11.1 m -120.81 111.96 18.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.822 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.493 ' O ' HG23 ' A' ' 9' ' ' VAL . 97.4 t -86.27 127.17 40.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.104 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' ' 144' ' ' VAL . 25.4 m -88.51 100.04 9.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.127 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . 0.474 ' NE2' ' HB ' ' A' ' 10' ' ' VAL . 4.9 pt20 -123.26 138.33 54.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . 0.426 ' N ' ' HB2' ' A' ' 5' ' ' SER . 29.7 p-10 -38.78 152.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 58.2 p -56.6 111.2 0.94 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.439 ' O ' HG23 ' A' ' 148' ' ' VAL . 35.1 m -143.56 125.13 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.127 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -77.05 152.02 35.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 23.9 mt -98.27 101.16 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.136 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 24.6 t -103.64 113.72 27.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 154.98 -138.31 6.06 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.523 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 51.8 mm-40 -121.92 146.8 46.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.808 0.337 . . . . 0.0 110.927 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.2 m -51.66 -53.36 39.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 132.08 -153.52 20.57 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.496 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 139.01 39.2 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.705 2.27 . . . . 0.0 112.354 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 73.2 p -54.87 -58.49 7.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.842 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 78.5 p -125.95 145.11 50.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.452 179.973 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.1 m -141.67 -175.49 4.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.889 0.376 . . . . 0.0 110.834 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -114.23 171.9 7.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.0 173.96 37.16 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.471 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.8 t -170.71 145.67 2.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.859 0.362 . . . . 0.0 110.87 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 t -94.24 -55.11 3.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.818 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.71 -102.7 0.17 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.508 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 50.6 tttt -77.06 146.44 37.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.821 0.343 . . . . 0.0 110.928 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.8 p -139.43 129.84 31.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 90.2 t -88.13 103.72 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.16 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.16 155.39 30.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -141.05 145.8 36.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.574 ' HB2' ' CZ ' ' A' ' 138' ' ' PHE . 85.3 p -107.84 126.6 52.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.552 ' CD1' ' HB3' ' A' ' 37' ' ' PHE . 87.9 t80 -118.44 109.65 16.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 28.1 ttm -89.81 121.04 31.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.474 ' CZ2' HD11 ' A' ' 18' ' ' ILE . 9.5 t90 -120.19 105.89 11.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 97.3 m -94.02 129.09 40.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.086 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.474 HD11 ' CZ2' ' A' ' 16' ' ' TRP . 44.6 mt -111.74 98.46 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.22 138.34 57.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.4 ' OD1' ' N ' ' A' ' 20' ' ' ASN . 0.9 OUTLIER 60.05 49.19 7.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.852 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 53' ' ' PRO . 66.8 t80 -57.18 -25.56 59.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.848 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.0 p -79.3 -13.9 59.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.404 ' O ' ' C ' ' A' ' 24' ' ' CYS . 3.3 m-85 -95.05 16.79 15.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.869 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' PHE . 15.7 p -37.25 116.19 0.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.872 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 26' ' ' GLU . 16.5 tpt180 -85.22 -48.97 8.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 25' ' ' ARG . 8.2 mm-40 -35.97 141.63 0.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 28' ' ' MET . 3.1 tt0 -93.63 154.74 17.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.435 ' C ' ' O ' ' A' ' 27' ' ' GLU . 12.3 tpp -34.97 136.89 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.7 -42.12 2.69 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.472 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.48 ' O ' ' ND2' ' A' ' 52' ' ' ASN . 12.6 mp0 -69.99 138.27 52.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 110.915 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.529 HG21 ' HB3' ' A' ' 50' ' ' ARG . 14.4 p -117.34 144.39 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.083 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 18.5 mt -88.85 105.79 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.8 mtmm -88.84 115.3 26.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 57.3 p -74.76 -177.67 3.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.3 p -73.39 170.6 14.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.797 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 70.6 p -87.64 130.13 34.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.156 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.552 ' HB3' ' CD1' ' A' ' 14' ' ' TYR . 6.5 p90 -119.74 155.52 32.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.919 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 56.3 p -137.65 -178.87 5.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.6 t -71.27 -58.95 3.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -174.39 -82.59 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.49 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 43' ' ' ASP . . . -55.66 167.66 0.51 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.767 0.317 . . . . 0.0 111.146 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 31.5 m-20 -49.54 89.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.956 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 41' ' ' ALA . 9.9 t0 -103.56 106.07 16.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.8 mmtp -53.59 -39.3 64.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.486 HD22 ' NE1' ' A' ' 47' ' ' TRP . 2.1 tt -66.02 127.31 31.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.55 ' C ' ' CG1' ' A' ' 71' ' ' VAL . 37.8 mmtm -117.63 156.38 28.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.494 ' HA ' HG12 ' A' ' 71' ' ' VAL . 70.2 m95 -132.02 151.02 51.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.479 ' SG ' HD23 ' A' ' 69' ' ' LEU . 14.5 p -138.88 154.64 48.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.848 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.483 HD23 HD22 ' A' ' 68' ' ' LEU . 12.4 mt -114.69 132.64 56.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.968 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.529 ' HB3' HG21 ' A' ' 31' ' ' VAL . 23.3 mtp180 -109.09 104.69 13.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.835 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.816 HG22 HD13 ' A' ' 66' ' ' LEU . 94.3 t -112.91 136.29 49.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.601 ' O ' HD22 ' A' ' 64' ' ' LEU . 5.2 t-20 -131.17 101.85 16.1 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.606 0.717 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.57 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 53.7 Cg_endo -69.74 -2.21 9.77 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.676 2.251 . . . . 0.0 112.363 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.413 ' HD3' ' N ' ' A' ' 28' ' ' MET . 26.0 tttt -124.07 6.96 8.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 61.47 -165.94 16.75 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.492 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 18.4 mt -112.57 -44.26 3.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.813 0.34 . . . . 0.0 110.89 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 0.2 OUTLIER -121.15 153.25 37.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.861 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -48.27 -20.6 0.4 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -68.75 -64.22 0.91 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.418 ' CB ' ' HD3' ' A' ' 115' ' ' LYS . 79.7 p -89.81 32.82 0.87 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.478 ' CG ' ' N ' ' A' ' 62' ' ' ASP . 10.1 ptmt -78.57 -46.64 18.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.478 ' N ' ' CG ' ' A' ' 61' ' ' LYS . 29.1 m-20 -63.66 -20.18 65.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.574 ' CE2' ' HG3' ' A' ' 118' ' ' ARG . 75.2 m-85 -105.45 160.69 14.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.614 HD13 ' N ' ' A' ' 65' ' ' SER . 2.8 tm? -89.68 125.59 35.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.614 ' N ' HD13 ' A' ' 64' ' ' LEU . 32.4 t -98.43 112.31 24.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.816 HD13 HG22 ' A' ' 51' ' ' VAL . 23.1 tp -123.96 123.02 39.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.924 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -127.37 149.32 50.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.483 HD22 HD23 ' A' ' 49' ' ' LEU . 0.7 OUTLIER -95.46 109.07 21.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.914 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.951 HD12 ' O ' ' A' ' 109' ' ' LYS . 7.0 tp -102.3 143.16 32.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.71 HD21 ' HB3' ' A' ' 73' ' ' CYS . 40.5 tp -92.95 82.71 4.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.65 HG13 ' H ' ' A' ' 72' ' ' SER . 1.3 p -34.03 -59.86 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.144 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.65 ' H ' HG13 ' A' ' 71' ' ' VAL . 45.4 t -152.37 156.88 40.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.71 ' HB3' HD21 ' A' ' 70' ' ' LEU . 28.7 p -148.13 142.68 16.72 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.584 0.707 . . . . 0.0 110.911 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -51.11 0.4 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.638 2.225 . . . . 0.0 112.375 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.0 pttm -90.6 167.93 12.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.3 t -45.28 -62.41 1.27 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.479 ' CB ' HG12 ' A' ' 106' ' ' VAL . 5.0 pt-20 -132.33 160.52 36.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.5 p -139.12 150.36 23.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.137 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.624 ' O ' HG22 ' A' ' 144' ' ' VAL . 20.6 mtt180 -114.77 127.68 55.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -153.88 161.38 42.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.681 ' HG3' ' HB2' ' A' ' 102' ' ' ALA . 61.6 mttt -109.93 121.92 46.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 22.4 p90 -106.32 148.82 27.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.404 ' C ' ' HD2' ' A' ' 83' ' ' LYS . 1.1 tmmt? -141.08 124.66 16.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -101.63 133.81 45.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 60.7 p -147.63 166.44 27.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.454 HD11 HG21 ' A' ' 117' ' ' ILE . 19.1 mt -129.33 132.02 67.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.9 mt -94.59 110.97 22.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.935 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.618 ' ND2' ' H ' ' A' ' 92' ' ' GLU . 0.6 OUTLIER -65.53 -174.93 0.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -52.66 -35.04 54.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.14 14.8 3.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.927 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.66 23.59 44.43 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.444 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.618 ' H ' ' ND2' ' A' ' 88' ' ' ASN . 24.3 mt-10 -101.27 139.05 37.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.809 0.338 . . . . 0.0 110.877 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -57.24 133.86 55.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.861 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.434 HG23 ' HG2' ' A' ' 95' ' ' LYS . 5.7 t -153.89 150.02 27.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.194 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.483 ' HE3' ' CE2' ' A' ' 121' ' ' PHE . 0.0 OUTLIER 49.94 49.94 19.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.868 179.903 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -102.17 158.29 16.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.462 ' CE ' ' CG ' ' A' ' 113' ' ' PHE . 19.0 mtm -130.75 132.76 45.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -106.67 170.29 8.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.8 m -115.36 160.83 19.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.843 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -76.28 -66.12 0.84 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 24.0 ttt-85 -136.75 140.92 42.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.825 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.681 ' HB2' ' HG3' ' A' ' 81' ' ' LYS . . . -43.2 146.95 0.39 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.065 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -108.21 160.02 16.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 18.2 ttt180 -74.47 98.84 3.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.493 ' CE1' ' HB2' ' A' ' 111' ' ' TRP . 13.5 m-85 -87.4 149.11 24.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.615 ' C ' HD23 ' A' ' 70' ' ' LEU . 11.4 m -151.59 164.58 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.108 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.401 HE21 ' N ' ' A' ' 108' ' ' GLY . 1.0 OUTLIER -53.29 119.43 4.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.401 ' N ' HE21 ' A' ' 107' ' ' GLN . . . 80.31 18.12 72.29 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.537 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.951 ' O ' HD12 ' A' ' 69' ' ' LEU . 19.5 tptt -89.98 158.66 17.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.764 0.316 . . . . 0.0 110.886 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -144.35 123.52 12.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.493 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 77.8 m95 -134.62 124.78 25.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 179.37 -158.43 22.37 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.455 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.462 ' CG ' ' CE ' ' A' ' 97' ' ' MET . 2.9 m-85 -116.61 162.95 16.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.934 0.397 . . . . 0.0 110.865 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 25.4 tttt -88.98 -46.42 8.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.419 ' HD2' ' CD1' ' A' ' 63' ' ' TYR . 8.9 mmtm -110.11 92.73 4.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -79.42 -49.97 11.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.733 HD11 ' CD2' ' A' ' 121' ' ' PHE . 3.2 tt -171.59 147.46 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.574 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 21.0 mtm180 -59.15 112.94 1.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.456 ' HA ' HD13 ' A' ' 122' ' ' LEU . 15.5 ttp180 -45.79 -35.64 4.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.17 -35.57 80.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.733 ' CD2' HD11 ' A' ' 117' ' ' ILE . 49.8 t80 -61.15 -26.04 67.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.839 HD23 HD13 ' A' ' 135' ' ' LEU . 5.9 mp -75.64 -54.04 7.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.601 HD22 ' N ' ' A' ' 123' ' ' LEU . 1.9 mm? -82.64 21.45 0.99 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -87.99 158.16 18.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -93.22 -34.3 13.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -54.08 -43.43 70.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.086 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.584 ' OD1' ' CZ ' ' A' ' 121' ' ' PHE . 12.7 m-80 -92.61 -47.53 7.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 74.43 42.9 32.52 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.526 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.629 HD23 ' O ' ' A' ' 121' ' ' PHE . 3.1 mm? -60.11 -25.77 65.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.9 0.381 . . . . 0.0 110.961 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.464 HD23 ' N ' ' A' ' 134' ' ' LYS . 5.8 mp -124.59 93.04 46.98 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.581 0.705 . . . . 0.0 110.919 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -21.9 32.9 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.67 2.247 . . . . 0.0 112.326 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -129.7 25.7 5.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.831 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 63.75 37.67 9.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.464 ' N ' HD23 ' A' ' 130' ' ' LEU . 3.8 ptpt -134.43 128.37 33.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.839 HD13 HD23 ' A' ' 122' ' ' LEU . 18.1 tp -88.23 115.19 25.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 73.4 m -99.47 96.94 8.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.137 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.453 ' CD1' HG21 ' A' ' 51' ' ' VAL . 8.1 mt -89.46 123.22 33.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . 0.574 ' CZ ' ' HB2' ' A' ' 13' ' ' SER . 19.3 t80 -108.98 105.91 15.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' CYS . . . . . 0.444 ' CB ' HD11 ' A' ' 49' ' ' LEU . 42.5 t -106.36 136.75 45.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -121.81 113.48 19.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 59.1 t -105.75 131.44 55.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 15.1 m -118.73 117.66 29.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.838 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 57.7 t -88.74 120.27 37.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.123 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.624 HG22 ' O ' ' A' ' 79' ' ' ARG . 34.7 m -73.76 128.28 36.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.129 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -125.23 164.1 21.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.931 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -121.9 -10.19 8.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.893 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 5.2 t -76.05 48.92 0.52 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 35.3 m -88.14 40.77 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.107 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -117.76 -60.8 1.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 73.2 mt -48.52 98.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.15 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 73.8 m -141.29 119.52 12.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . -66.04 168.81 32.55 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.506 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -54.83 126.74 25.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.8 0.333 . . . . 0.0 110.885 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 35.9 t -62.4 133.84 55.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -87.55 -166.79 42.87 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.451 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 146.62 60.53 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.666 2.244 . . . . 0.0 112.352 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 2.3 t -139.61 160.16 40.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.864 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 3.3 m -99.07 156.22 17.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.821 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.485 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.1 p -88.36 -44.36 10.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.85 0.357 . . . . 0.0 110.853 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.0 m -85.75 89.67 7.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.72 103.67 0.2 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.436 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.1 t -66.42 92.82 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.871 0.367 . . . . 0.0 110.839 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -71.05 118.43 13.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.76 -90.66 0.12 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.494 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 69.7 tttt -64.76 148.33 51.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.806 0.336 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.499 HG22 ' HD2' ' A' ' 11' ' ' LYS . 2.4 p -140.44 127.39 22.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.124 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 94.3 t -91.07 96.98 6.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.136 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.499 ' HD2' HG22 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -90.59 158.6 16.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.579 ' CE2' ' HB ' ' A' ' 141' ' ' VAL . 5.0 p90 -167.97 137.67 2.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.883 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.414 ' HB2' ' CE1' ' A' ' 138' ' ' PHE . 59.9 p -111.63 153.24 26.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.735 ' CD2' ' CD2' ' A' ' 37' ' ' PHE . 16.3 t80 -139.03 117.65 12.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.934 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 29.0 ttm -86.94 124.55 33.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.55 ' CZ2' HD11 ' A' ' 18' ' ' ILE . 11.3 t90 -123.47 103.14 8.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.519 HG22 ' HB3' ' A' ' 134' ' ' LYS . 7.4 m -94.06 117.77 30.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.55 HD11 ' CZ2' ' A' ' 16' ' ' TRP . 78.0 mt -97.4 102.46 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -66.92 134.06 51.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' A' ' 20' ' ' ASN . 0.8 OUTLIER 64.8 44.97 3.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.544 ' HZ ' HD12 ' A' ' 64' ' ' LEU . 85.1 t80 -55.46 -31.5 62.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 78.6 p -69.42 -16.86 63.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.797 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.435 ' O ' ' C ' ' A' ' 24' ' ' CYS . 3.3 m-85 -92.51 16.6 11.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.435 ' C ' ' O ' ' A' ' 23' ' ' PHE . 2.7 p -34.87 104.13 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.882 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -90.88 -25.59 19.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -47.94 125.16 8.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.424 ' HB2' ' CG ' ' A' ' 30' ' ' GLU . 22.9 mm-40 -53.65 173.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.475 ' N ' ' HD3' ' A' ' 54' ' ' LYS . 2.2 ttm -53.35 -74.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.432 ' N ' ' CG ' ' A' ' 28' ' ' MET . . . -59.16 -43.75 96.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.455 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.424 ' CG ' ' HB2' ' A' ' 27' ' ' GLU . 7.0 mm-40 -42.77 164.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.913 0.387 . . . . 0.0 110.903 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 51' ' ' VAL . 7.6 p -146.79 143.91 20.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.09 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 25.3 mt -89.6 100.54 11.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.183 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.1 mttt -84.64 121.03 27.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 77.3 p -76.92 170.12 17.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.2 m -66.12 173.71 2.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.844 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 43.0 p -87.94 125.4 34.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.165 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.735 ' CD2' ' CD2' ' A' ' 14' ' ' TYR . 45.4 p90 -122.52 142.11 50.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.85 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.3 p -134.17 -178.58 5.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.839 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.4 p -49.88 -46.63 51.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.843 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 130.81 47.41 0.13 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.526 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -174.01 171.24 3.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.764 0.316 . . . . 0.0 111.128 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 33.9 p30 -48.82 102.65 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -146.81 171.15 15.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.2 mmtt -117.41 -34.37 4.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.538 ' C ' HD12 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -70.65 104.66 2.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.906 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.504 ' N ' HD12 ' A' ' 45' ' ' LEU . 51.0 mmtt -105.9 170.32 7.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 59.6 m95 -144.73 152.93 41.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.93 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.6 p -144.13 153.66 42.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.661 HD21 ' SG ' ' A' ' 139' ' ' CYS . 90.8 mt -110.25 137.25 48.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 49.6 mtp180 -112.11 103.6 11.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.835 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.822 HG13 HD21 ' A' ' 64' ' ' LEU . 76.5 t -106.57 144.24 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.151 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.43 ' ND2' ' HB ' ' A' ' 31' ' ' VAL . 0.5 OUTLIER -134.47 102.35 11.69 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.665 0.745 . . . . 0.0 110.858 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 52' ' ' ASN . 53.5 Cg_endo -69.79 -44.03 2.3 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.671 2.248 . . . . 0.0 112.31 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.475 ' HD3' ' N ' ' A' ' 28' ' ' MET . 30.0 tttp -80.15 -3.33 48.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 68.42 150.79 0.3 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.424 HD22 ' N ' ' A' ' 56' ' ' LEU . 3.5 mm? -61.7 -55.87 25.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.83 0.348 . . . . 0.0 110.91 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.488 ' CG ' ' N ' ' A' ' 58' ' ' GLU . 14.6 t70 -136.09 171.54 14.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.488 ' N ' ' CG ' ' A' ' 57' ' ' ASP . 16.7 mp0 -52.44 -19.85 2.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -58.14 -46.05 86.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.5 p -124.09 50.41 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.7 ptmm? -84.89 -29.92 24.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -66.62 -56.88 8.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.548 ' CD2' ' HG2' ' A' ' 118' ' ' ARG . 0.3 OUTLIER -89.09 177.3 6.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.969 -179.879 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.822 HD21 HG13 ' A' ' 51' ' ' VAL . 9.1 tt -96.51 156.23 16.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.562 ' N ' HD23 ' A' ' 64' ' ' LEU . 7.4 t -117.36 114.5 23.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.825 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.631 ' HG ' HG22 ' A' ' 51' ' ' VAL . 6.0 tt -127.08 114.18 17.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.946 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -119.45 148.67 42.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.586 ' C ' HD13 ' A' ' 68' ' ' LEU . 2.0 tm? -92.36 107.18 19.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.919 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.629 HD12 ' O ' ' A' ' 109' ' ' LYS . 6.7 tp -102.32 152.69 20.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.923 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.767 HD21 ' HB3' ' A' ' 73' ' ' CYS . 15.8 tp -102.26 94.44 5.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.579 HG13 ' H ' ' A' ' 72' ' ' SER . 0.2 OUTLIER -47.54 -66.81 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 179.844 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.579 ' H ' HG13 ' A' ' 71' ' ' VAL . 22.9 t -143.36 143.63 31.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.892 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.767 ' HB3' HD21 ' A' ' 70' ' ' LEU . 31.4 p -136.1 142.67 40.97 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.584 0.707 . . . . 0.0 110.936 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -43.98 2.33 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.689 2.26 . . . . 0.0 112.334 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.3 pttm -97.8 159.01 15.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 t -45.81 -61.25 1.8 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.822 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -123.26 159.35 28.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.5 p -149.65 140.44 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.7 ' O ' HG22 ' A' ' 144' ' ' VAL . 5.7 mtt-85 -107.67 121.74 45.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -151.19 156.39 40.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.068 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.674 ' HG3' ' HB2' ' A' ' 102' ' ' ALA . 37.9 mttt -103.69 143.94 32.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -124.29 153.31 41.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.406 ' C ' ' HD2' ' A' ' 83' ' ' LYS . 1.2 tmmt? -146.95 126.7 13.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.926 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.44 ' CD2' HD22 ' A' ' 66' ' ' LEU . 12.6 m-85 -104.22 136.52 43.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.498 ' CB ' ' HB2' ' A' ' 96' ' ' ALA . 32.6 p -149.42 162.81 39.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 26.3 mt -121.69 132.15 71.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.137 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.439 HD21 ' HG3' ' A' ' 93' ' ' GLU . 6.5 mt -98.53 105.89 18.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.675 ' ND2' ' H ' ' A' ' 92' ' ' GLU . 0.4 OUTLIER -59.93 -176.37 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -54.54 -28.53 46.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.103 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.02 13.97 8.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.917 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.79 25.46 52.1 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.484 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.675 ' H ' ' ND2' ' A' ' 88' ' ' ASN . 23.6 mt-10 -102.65 142.58 33.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.807 0.336 . . . . 0.0 110.915 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.439 ' HG3' HD21 ' A' ' 87' ' ' LEU . 6.2 mt-10 -63.82 134.17 54.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.891 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.8 t -156.36 146.7 21.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.148 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 51.8 mmtt 54.51 46.09 25.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.498 ' HB2' ' CB ' ' A' ' 85' ' ' SER . . . -100.28 156.02 17.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.127 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 20.9 mtm -127.03 122.24 33.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -94.88 158.89 15.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 53.7 p -103.52 159.79 15.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.878 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -77.73 -66.23 0.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -133.71 167.34 20.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.674 ' HB2' ' HG3' ' A' ' 81' ' ' LYS . . . -71.51 161.63 30.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.088 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -126.53 169.13 13.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.899 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 23.3 ttm180 -80.29 99.49 7.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.519 ' CE1' HD12 ' A' ' 68' ' ' LEU . 35.3 m-85 -90.46 142.01 28.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.518 HG22 ' HB2' ' A' ' 109' ' ' LYS . 17.0 m -149.74 146.87 16.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.101 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -40.17 100.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.927 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 104.41 20.37 10.35 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.491 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.629 ' O ' HD12 ' A' ' 69' ' ' LEU . 20.9 tptt -102.91 145.37 29.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.806 0.336 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -130.2 123.78 31.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 71.1 m95 -138.51 115.32 10.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -171.73 -154.83 10.27 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.48 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -120.64 145.9 46.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.981 0.42 . . . . 0.0 110.878 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.8 tttt -75.77 -59.53 2.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -88.6 92.89 9.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -84.52 -56.75 3.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.873 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.644 HG12 HD21 ' A' ' 122' ' ' LEU . 7.3 tp -157.91 153.42 6.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.548 ' HG2' ' CD2' ' A' ' 63' ' ' TYR . 28.4 mtt180 -75.69 107.51 7.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.814 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.409 ' NH2' ' SG ' ' A' ' 24' ' ' CYS . 37.4 mtp180 -38.51 -45.24 1.03 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -53.45 -42.06 66.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.593 ' CE1' ' OD1' ' A' ' 127' ' ' ASN . 65.8 t80 -63.68 -32.44 73.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.761 ' HA ' HD12 ' A' ' 129' ' ' LEU . 12.6 mt -73.69 -56.97 4.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.448 ' HA ' HD12 ' A' ' 130' ' ' LEU . 5.6 mp -61.41 -25.37 67.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.94 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.5 ' OD2' ' HB3' ' A' ' 126' ' ' ALA . 13.2 t70 -54.64 159.15 2.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -100.21 -33.99 10.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.5 ' HB3' ' OD2' ' A' ' 124' ' ' ASP . . . -45.33 -38.07 5.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.085 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.593 ' OD1' ' CE1' ' A' ' 121' ' ' PHE . 8.8 m-80 -86.38 -40.0 15.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.973 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 74.18 38.61 46.53 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.455 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.761 HD12 ' HA ' ' A' ' 122' ' ' LEU . 73.4 mt -78.73 -22.08 47.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.818 0.342 . . . . 0.0 110.919 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.707 HD23 ' O ' ' A' ' 129' ' ' LEU . 2.5 mt -133.61 84.65 44.77 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.594 0.711 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -23.58 30.82 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.669 2.246 . . . . 0.0 112.36 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -133.39 28.33 4.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 20' ' ' ASN . 4.3 m-20 64.99 27.07 12.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.835 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.519 ' HB3' HG22 ' A' ' 17' ' ' THR . 6.5 mtpt -112.71 124.04 51.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.443 HD22 ' CE1' ' A' ' 21' ' ' PHE . 67.5 tp -96.81 95.38 7.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.962 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 81.8 m -80.52 95.45 6.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.185 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 17.0 mt -90.7 115.6 27.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . 0.414 ' CE1' ' HB2' ' A' ' 13' ' ' SER . 30.2 t80 -98.35 109.65 22.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' CYS . . . . . 0.661 ' SG ' HD21 ' A' ' 49' ' ' LEU . 42.0 t -104.23 150.17 24.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.874 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -134.77 115.04 13.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.579 ' HB ' ' CE2' ' A' ' 12' ' ' PHE . 22.4 t -107.21 139.6 28.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.109 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . 0.402 ' CB ' ' HG3' ' A' ' 11' ' ' LYS . 3.2 m -126.85 107.19 9.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.452 ' O ' HG23 ' A' ' 9' ' ' VAL . 47.9 t -87.26 110.53 20.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.174 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.7 HG22 ' O ' ' A' ' 79' ' ' ARG . 19.4 m -66.83 115.72 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -113.21 155.19 25.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -57.3 171.29 0.42 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 8.6 t -93.04 106.51 18.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 2.7 m -128.55 123.24 59.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -138.02 106.63 5.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.841 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 37.4 mt -43.48 137.59 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 84.9 p -110.73 114.01 27.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 140.06 104.82 0.6 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.528 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -61.29 99.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.856 0.36 . . . . 0.0 110.938 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 7.9 m -134.78 174.42 10.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -112.05 -150.63 11.39 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.494 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 116.52 4.6 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.697 2.265 . . . . 0.0 112.302 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 25.3 m -85.74 162.36 18.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 3.6 m -135.94 113.27 10.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.487 -179.98 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.0 p -51.44 164.01 0.23 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.891 0.377 . . . . 0.0 110.869 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.7 p -136.96 149.88 47.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.823 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.91 -150.46 18.29 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.493 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.8 t -139.71 148.39 42.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.892 0.377 . . . . 0.0 110.823 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.3 p -47.2 -51.98 17.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.814 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 43.71 -132.72 6.17 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.501 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.426 ' HD3' ' N ' ' A' ' 9' ' ' VAL . 0.8 OUTLIER -68.33 145.23 54.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 110.877 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.526 HG22 ' N ' ' A' ' 10' ' ' VAL . 2.2 p -129.36 159.59 41.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.186 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.526 ' N ' HG22 ' A' ' 9' ' ' VAL . 57.5 t -111.78 99.99 9.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.15 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.5 ' HG2' ' CB ' ' A' ' 142' ' ' SER . 18.5 mtmt -108.5 160.61 15.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.575 ' CZ ' ' HB ' ' A' ' 141' ' ' VAL . 34.0 p90 -159.26 135.23 8.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.831 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.499 ' HB2' ' CE1' ' A' ' 138' ' ' PHE . 93.9 p -107.29 132.17 53.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.828 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -122.35 115.93 23.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.87 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 32.9 ttm -87.14 119.14 27.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.93 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.406 ' HZ3' HG23 ' A' ' 51' ' ' VAL . 8.9 t90 -118.54 99.52 6.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.2 m -90.63 126.94 36.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.151 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 29.5 mt -106.73 100.81 11.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.8 127.54 33.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 74.76 44.21 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.528 ' HZ ' HD12 ' A' ' 64' ' ' LEU . 91.8 t80 -54.55 -38.15 66.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.4 t -67.36 -13.59 62.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -94.76 18.23 12.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 27.4 p -41.3 123.66 2.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 49.2 mmt-85 -114.0 49.17 1.02 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -130.25 89.7 2.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 28' ' ' MET . 2.4 tt0 -42.99 157.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.42 ' C ' ' O ' ' A' ' 27' ' ' GLU . 5.8 ttm -36.79 134.65 0.48 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 96.55 -61.66 1.2 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.507 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -40.39 140.7 0.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.858 0.361 . . . . 0.0 110.922 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.9 p -121.98 142.92 36.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.109 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 48.6 mt -91.31 112.35 25.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.4 mtmp? -95.0 130.68 41.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.861 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 87.2 p -94.13 178.51 5.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.7 m -64.97 -179.15 0.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.829 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.6 p -102.22 121.23 41.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.105 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.426 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 3.3 p90 -120.35 140.47 51.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 89.3 p -138.43 -178.01 5.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.8 p -89.76 77.63 7.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.817 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.9 140.79 9.18 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.51 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -42.14 -59.99 1.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.818 0.342 . . . . 0.0 111.136 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -80.76 88.5 5.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -150.77 124.64 9.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.1 mmmm -73.42 -44.24 58.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.485 HD21 ' HZ2' ' A' ' 47' ' ' TRP . 53.5 tp -66.56 113.19 4.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 57.9 mmtt -111.41 164.98 12.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.485 ' HZ2' HD21 ' A' ' 45' ' ' LEU . 72.1 m95 -142.63 152.57 42.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 8.4 t -141.42 149.42 41.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 40.6 mt -106.0 136.21 46.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 25.3 mtt180 -113.27 104.65 12.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.901 HG22 HD13 ' A' ' 66' ' ' LEU . 77.9 t -105.33 142.4 18.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -132.33 102.35 14.27 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.676 0.75 . . . . 0.0 110.918 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 -27.18 27.02 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.73 2.286 . . . . 0.0 112.332 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -100.19 -12.32 19.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 80.61 -161.26 44.29 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.511 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 15.3 mt -113.62 -48.12 2.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.821 0.343 . . . . 0.0 110.932 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.44 156.87 43.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -39.64 -34.2 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -55.04 -58.66 6.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.476 ' HB2' ' CE ' ' A' ' 114' ' ' LYS . 9.4 t -94.21 38.9 1.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.423 ' CG ' ' N ' ' A' ' 62' ' ' ASP . 18.1 ptmt -84.72 -45.56 12.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.929 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.423 ' N ' ' CG ' ' A' ' 61' ' ' LYS . 1.6 m-20 -66.48 -38.3 86.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.442 ' CE2' ' CG ' ' A' ' 118' ' ' ARG . 4.9 m-85 -97.37 161.01 13.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.892 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.59 HD23 ' N ' ' A' ' 65' ' ' SER . 9.6 tt -90.99 155.95 18.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.951 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.59 ' N ' HD23 ' A' ' 64' ' ' LEU . 3.4 t -120.61 119.53 33.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.901 HD13 HG22 ' A' ' 51' ' ' VAL . 42.9 tp -127.04 116.76 21.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.862 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -124.47 147.46 48.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.701 HD22 ' HB3' ' A' ' 82' ' ' PHE . 22.4 tp -94.92 106.55 18.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.893 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.1 tp -99.97 137.45 38.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.832 HD21 ' HB3' ' A' ' 73' ' ' CYS . 7.3 tp -86.97 86.29 7.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.946 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.594 HG13 ' H ' ' A' ' 72' ' ' SER . 0.2 OUTLIER -38.25 -65.74 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 179.819 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.594 ' H ' HG13 ' A' ' 71' ' ' VAL . 3.9 m -144.46 146.28 32.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.839 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.832 ' HB3' HD21 ' A' ' 70' ' ' LEU . 31.1 p -138.44 143.16 37.38 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.619 0.724 . . . . 0.0 110.901 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -38.92 7.1 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.685 2.256 . . . . 0.0 112.342 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 76' ' ' SER . 24.5 pttt -105.15 146.45 29.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 75' ' ' LYS . 3.1 m -36.31 -69.41 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -112.88 154.54 26.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.5 p -145.52 144.47 21.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.13 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.786 ' O ' HG22 ' A' ' 144' ' ' VAL . 22.7 mtp180 -107.36 124.48 49.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.45 163.08 38.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.401 ' HG3' ' HB2' ' A' ' 102' ' ' ALA . 24.6 mttp -107.99 178.01 4.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.701 ' HB3' HD22 ' A' ' 68' ' ' LEU . 28.6 p90 -159.24 150.07 19.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -148.0 122.83 9.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -102.57 139.09 38.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.427 ' CB ' ' HB2' ' A' ' 96' ' ' ALA . 50.2 p -152.69 159.62 43.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.42 ' O ' ' N ' ' A' ' 94' ' ' THR . 18.7 mt -117.75 137.81 50.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.104 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.9 mt -100.99 106.09 17.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.944 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.634 ' ND2' ' H ' ' A' ' 92' ' ' GLU . 0.5 OUTLIER -59.68 -175.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.42 -32.0 47.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.24 14.92 3.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.88 25.25 52.32 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.512 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.634 ' H ' ' ND2' ' A' ' 88' ' ' ASN . 12.8 mt-10 -105.29 142.87 34.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.803 0.335 . . . . 0.0 110.893 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -58.45 139.33 55.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.432 HG21 ' CD2' ' A' ' 129' ' ' LEU . 2.3 t -159.12 138.26 11.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.139 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 49.9 mmtt 59.03 47.62 11.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.922 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.427 ' HB2' ' CB ' ' A' ' 85' ' ' SER . . . -96.45 167.06 11.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.105 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.477 ' CE ' ' CG ' ' A' ' 113' ' ' PHE . 8.9 mtm -136.87 130.17 31.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -96.88 161.5 13.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.469 ' OG ' ' CE1' ' A' ' 82' ' ' PHE . 16.0 m -100.83 158.55 15.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -75.91 -46.99 27.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.919 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.8 ptp85 -165.05 178.74 6.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.401 ' HB2' ' HG3' ' A' ' 81' ' ' LYS . . . -77.83 131.01 37.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -102.59 161.37 13.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.95 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 23.4 ttp180 -73.48 97.51 2.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.449 ' CZ ' HD23 ' A' ' 68' ' ' LEU . 19.2 m-85 -84.68 151.17 24.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.612 HG22 ' HB2' ' A' ' 109' ' ' LYS . 15.9 m -154.07 148.81 13.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.108 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -42.57 96.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.932 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 105.32 20.2 9.88 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.484 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.612 ' HB2' HG22 ' A' ' 106' ' ' VAL . 14.5 tptt -96.98 144.4 26.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.788 0.328 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.24 118.28 23.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 73.2 m95 -134.12 125.09 27.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 178.93 -141.07 4.73 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.526 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.477 ' CG ' ' CE ' ' A' ' 97' ' ' MET . 17.9 m-85 -127.75 159.01 36.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.941 0.401 . . . . 0.0 110.887 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.476 ' CE ' ' HB2' ' A' ' 60' ' ' SER . 64.9 tttt -88.77 -50.96 5.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.914 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.411 ' HD2' ' CD1' ' A' ' 63' ' ' TYR . 12.0 mmtp -104.99 95.11 5.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -83.33 -57.31 3.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.547 HG23 HD11 ' A' ' 122' ' ' LEU . 6.3 tp -155.53 151.14 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.499 ' N ' HG13 ' A' ' 117' ' ' ILE . 4.7 mtp180 -68.33 116.17 8.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.504 ' HA ' HD13 ' A' ' 122' ' ' LEU . 25.7 ttp85 -50.16 -38.46 39.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -62.32 -40.24 95.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.478 ' CZ ' ' CG ' ' A' ' 127' ' ' ASN . 58.1 t80 -57.46 -48.12 80.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.908 ' HA ' HD12 ' A' ' 129' ' ' LEU . 6.5 mp -53.77 -67.19 0.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.958 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.441 ' CD1' ' H ' ' A' ' 123' ' ' LEU . 4.6 mp -50.85 -36.43 37.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.95 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -43.17 144.76 0.61 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -84.86 -34.5 22.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -42.15 -43.66 3.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.478 ' CG ' ' CZ ' ' A' ' 121' ' ' PHE . 4.5 m-20 -87.55 -41.53 13.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 69.68 35.19 73.64 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.523 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.908 HD12 ' HA ' ' A' ' 122' ' ' LEU . 43.2 mt -65.17 -17.21 64.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.875 0.369 . . . . 0.0 110.904 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.416 HD23 ' O ' ' A' ' 129' ' ' LEU . 2.4 mt -132.65 80.07 62.81 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.61 0.719 . . . . 0.0 110.917 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -20.48 34.8 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.66 2.24 . . . . 0.0 112.37 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -124.48 27.42 6.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.878 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 59.03 25.17 13.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 11.7 ptpt -127.06 130.83 50.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.525 HD13 HD23 ' A' ' 122' ' ' LEU . 55.2 tp -95.35 128.79 42.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 97.5 m -107.04 98.36 8.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 9.1 mt -89.86 117.74 28.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.968 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . 0.499 ' CE1' ' HB2' ' A' ' 13' ' ' SER . 16.2 t80 -103.91 103.81 13.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 24.6 t -105.83 151.95 23.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -135.86 122.22 20.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.575 ' HB ' ' CZ ' ' A' ' 12' ' ' PHE . 25.7 t -109.96 142.67 21.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.125 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . 0.5 ' CB ' ' HG2' ' A' ' 11' ' ' LYS . 0.9 OUTLIER -126.21 113.47 17.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.888 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 46.8 t -93.84 117.8 38.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.132 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.786 HG22 ' O ' ' A' ' 79' ' ' ARG . 34.9 m -81.19 95.43 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.191 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . 0.444 ' O ' ' C ' ' A' ' 146' ' ' ASP . 1.3 pt20 -134.52 106.1 6.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.929 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 145' ' ' GLN . 43.3 m-20 -34.48 -74.76 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.8 m -167.71 106.74 0.54 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 24.3 m -140.83 154.04 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . 0.424 ' O ' ' C ' ' A' ' 150' ' ' ILE . 7.5 p30 -173.31 129.25 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . 0.734 HD12 ' H ' ' A' ' 150' ' ' ILE . 5.3 mp -34.1 106.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.095 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 4.1 m -56.77 110.86 0.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 117.6 -142.39 17.19 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.487 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -127.61 98.5 5.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.835 0.35 . . . . 0.0 110.897 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 4.9 t -127.67 109.98 12.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -141.68 -172.43 13.37 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.457 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 87.97 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.678 2.252 . . . . 0.0 112.348 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 76.7 p -136.98 113.5 10.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 159' ' ' GLY . 35.3 p -69.3 155.2 40.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.894 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 158' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.498 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.2 m -109.26 155.69 20.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.845 0.355 . . . . 0.0 110.859 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -46.88 131.9 11.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.873 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.9 -163.99 24.75 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.457 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.9 m 58.86 45.21 15.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.862 0.363 . . . . 0.0 110.883 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 t -93.43 83.46 4.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.76 -130.73 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.527 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.05 141.69 58.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.801 0.334 . . . . 0.0 110.873 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.509 ' O ' HG13 ' A' ' 9' ' ' VAL . 7.3 p -141.2 117.21 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.474 HG23 ' HG3' ' A' ' 145' ' ' GLN . 87.1 t -96.35 103.67 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.13 164.71 12.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -151.1 141.03 21.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 83.0 p -109.16 130.25 55.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.721 ' CD2' ' CD2' ' A' ' 37' ' ' PHE . 34.5 t80 -125.59 118.74 26.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.943 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 37.4 ttm -93.26 115.94 28.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 9.6 t90 -115.15 101.98 9.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.4 m -93.6 115.25 27.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 30.7 mt -91.8 99.62 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.172 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.552 ' ND2' ' H ' ' A' ' 19' ' ' ASN . 0.4 OUTLIER -67.56 138.21 56.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.4 m120 64.31 43.88 4.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -54.07 -30.36 47.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.5 t -69.26 -21.74 63.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -85.35 19.78 2.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.7 p -48.99 121.64 4.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 26' ' ' GLU . 2.4 tmm_? -99.75 -45.98 5.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 25' ' ' ARG . 8.4 mp0 -36.55 105.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -62.27 -177.45 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 8.5 ttm -53.36 145.08 15.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.859 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.02 -50.39 4.16 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.496 ' O ' ' ND2' ' A' ' 52' ' ' ASN . 21.5 mt-10 -47.64 153.64 0.55 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.873 0.368 . . . . 0.0 110.889 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.872 HG23 ' OD1' ' A' ' 52' ' ' ASN . 7.7 p -131.74 152.48 37.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.9 mt -104.41 101.57 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.09 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.0 mtmp? -88.46 121.3 30.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 83.9 p -87.74 163.16 16.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.7 m -49.03 176.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 24.7 p -90.45 124.13 34.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.167 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.721 ' CD2' ' CD2' ' A' ' 14' ' ' TYR . 22.9 p90 -119.88 137.66 53.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 72.7 m -139.56 -176.42 4.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.823 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 95.9 p -76.67 -12.88 60.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.888 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -164.8 156.31 28.19 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.52 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -48.63 -54.51 14.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.809 0.338 . . . . 0.0 111.144 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -92.13 81.96 5.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' ' 45' ' ' LEU . 11.5 t0 -131.62 94.09 3.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 43' ' ' ASP . 23.6 mmtt -35.29 -32.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.81 HD22 ' NE1' ' A' ' 47' ' ' TRP . 3.0 tt -92.39 129.98 38.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.484 ' N ' HD23 ' A' ' 45' ' ' LEU . 44.5 mmtm -120.27 160.01 23.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.81 ' NE1' HD22 ' A' ' 45' ' ' LEU . 73.0 m95 -138.49 155.3 48.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.938 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.445 ' SG ' HD23 ' A' ' 69' ' ' LEU . 31.0 p -144.08 161.2 39.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' ' 49' ' ' LEU . 11.1 mt -117.53 137.55 52.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.412 ' HE ' HG21 ' A' ' 31' ' ' VAL . 26.0 mtp180 -114.0 109.24 18.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.727 HG22 HD13 ' A' ' 66' ' ' LEU . 44.4 t -111.8 142.18 24.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.872 ' OD1' HG23 ' A' ' 31' ' ' VAL . 6.0 m120 -134.82 101.71 11.54 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.585 0.707 . . . . 0.0 110.904 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.476 ' HA ' ' CD2' ' A' ' 64' ' ' LEU . 53.8 Cg_endo -69.76 -12.22 32.45 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.637 2.225 . . . . 0.0 112.37 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.6 mtpt -114.91 11.85 16.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 59.01 176.38 0.78 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -81.11 -36.77 29.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.761 0.315 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.481 ' CG ' ' N ' ' A' ' 58' ' ' GLU . 14.5 t70 -147.57 171.6 15.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.843 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.481 ' N ' ' CG ' ' A' ' 57' ' ' ASP . 51.2 mt-10 -52.56 -16.46 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 60.0 tt0 -61.4 -61.03 2.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.866 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 27.5 t -106.77 41.37 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.865 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.9 ptmm? -75.23 -30.77 60.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.866 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -77.52 -34.85 53.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.549 ' CD1' ' HG2' ' A' ' 118' ' ' ARG . 8.1 m-85 -92.4 160.24 15.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.476 ' CD2' ' HA ' ' A' ' 53' ' ' PRO . 3.2 tm? -88.99 124.3 34.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.958 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.4 m -96.19 129.87 43.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.727 HD13 HG22 ' A' ' 51' ' ' VAL . 33.4 tp -138.39 131.24 29.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -134.82 152.44 51.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.694 ' C ' HD13 ' A' ' 68' ' ' LEU . 1.5 tm? -101.19 111.55 23.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.931 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.618 HD12 ' O ' ' A' ' 109' ' ' LYS . 8.7 tp -101.88 154.83 18.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.705 HD21 ' HB3' ' A' ' 73' ' ' CYS . 39.9 tp -104.27 82.45 1.95 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.905 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.608 HG13 ' H ' ' A' ' 72' ' ' SER . 1.4 p -35.1 -57.87 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.608 ' H ' HG13 ' A' ' 71' ' ' VAL . 12.2 t -155.51 152.12 28.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.705 ' HB3' HD21 ' A' ' 70' ' ' LEU . 16.8 p -142.13 144.88 33.44 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.655 0.74 . . . . 0.0 110.866 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.471 ' CD ' ' HG ' ' A' ' 45' ' ' LEU . 53.9 Cg_endo -69.74 -50.91 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.745 2.297 . . . . 0.0 112.324 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.7 pttm -90.9 164.7 13.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 20.4 m -42.7 -60.04 1.71 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -134.95 159.4 41.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.844 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.7 p -139.75 140.34 36.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.159 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.415 ' O ' HG22 ' A' ' 144' ' ' VAL . 15.6 mtp180 -107.89 128.8 54.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.851 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.72 157.69 33.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.123 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 29.9 mttp -102.43 131.34 49.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -113.19 147.67 36.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.3 tmmm? -140.57 127.34 20.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.937 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -105.83 137.67 43.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 44.2 p -150.88 156.69 41.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.619 HD11 HG21 ' A' ' 117' ' ' ILE . 37.8 mt -114.96 127.22 72.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.101 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.423 HD21 ' HG3' ' A' ' 93' ' ' GLU . 6.3 mt -89.87 114.11 25.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.956 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.445 ' C ' ' OD1' ' A' ' 88' ' ' ASN . 33.2 p30 -64.71 -176.3 0.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.0 -36.3 60.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.077 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.442 ' N ' ' OD1' ' A' ' 88' ' ' ASN . 0.1 OUTLIER -86.66 21.39 2.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.913 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 55.21 31.12 56.21 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -102.68 134.98 45.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.805 0.335 . . . . 0.0 110.862 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.423 ' HG3' HD21 ' A' ' 87' ' ' LEU . 13.8 mt-10 -62.13 132.29 52.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.422 HG21 ' CD2' ' A' ' 129' ' ' LEU . 6.1 t -153.62 143.28 21.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.177 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.427 ' HG3' ' CD1' ' A' ' 117' ' ' ILE . 58.3 mmtt 60.22 50.13 6.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.928 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -99.96 161.47 13.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.11 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.428 ' CE ' ' CD2' ' A' ' 113' ' ' PHE . 15.4 mtm -133.6 130.62 38.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -106.25 168.39 9.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.843 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 9.2 t -113.82 160.23 18.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.95 -23.09 27.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.6 ttp-105 -164.47 168.84 17.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.14 165.07 25.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.099 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -125.22 154.37 41.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -70.98 103.48 2.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.561 ' CE1' HD12 ' A' ' 68' ' ' LEU . 17.1 m-85 -94.97 114.82 26.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.59 HG22 ' HB2' ' A' ' 109' ' ' LYS . 16.2 m -121.8 158.44 25.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.162 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -45.9 105.5 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 89.64 28.71 18.28 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.462 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.618 ' O ' HD12 ' A' ' 69' ' ' LEU . 19.8 tptt -102.37 140.93 36.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.825 0.345 . . . . 0.0 110.853 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -123.47 124.33 42.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -138.64 124.93 20.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 178.68 -159.15 24.09 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.484 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.428 ' CD2' ' CE ' ' A' ' 97' ' ' MET . 21.9 m-85 -113.28 150.67 32.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.951 0.405 . . . . 0.0 110.85 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 29.8 tttt -76.78 -56.86 4.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 34.7 mttm -102.63 101.88 12.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -83.87 -51.0 7.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.619 HG21 HD11 ' A' ' 86' ' ' ILE . 3.0 tt -171.13 143.19 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.128 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.549 ' HG2' ' CD1' ' A' ' 63' ' ' TYR . 13.3 mtt180 -48.6 118.16 2.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.74 ' HA ' HD13 ' A' ' 122' ' ' LEU . 26.3 ttp85 -52.46 -39.22 60.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.4 -43.5 98.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.61 ' CD2' HD11 ' A' ' 117' ' ' ILE . 65.4 t80 -53.28 -21.61 5.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.756 ' HA ' HD12 ' A' ' 129' ' ' LEU . 6.4 mp -82.03 -59.62 2.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.707 HD13 HD12 ' A' ' 130' ' ' LEU . 2.6 mm? -59.57 -32.8 70.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.916 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -46.35 153.4 0.35 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.871 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -93.21 -33.17 14.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.832 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -41.73 -42.94 2.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.083 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' A' ' 121' ' ' PHE . 0.7 OUTLIER -88.47 -40.4 13.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 72.32 42.03 50.91 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.468 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.756 HD12 ' HA ' ' A' ' 122' ' ' LEU . 69.8 mt -77.18 -25.12 51.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.842 0.353 . . . . 0.0 110.893 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.707 HD12 HD13 ' A' ' 123' ' ' LEU . 6.4 mt -127.01 79.26 73.22 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.613 0.72 . . . . 0.0 110.912 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -32.41 18.42 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.733 2.289 . . . . 0.0 112.301 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -113.87 27.28 9.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.83 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 57.7 36.6 26.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 8.3 ptpt -133.08 127.19 33.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.631 HD13 HD23 ' A' ' 122' ' ' LEU . 64.5 tp -90.9 114.36 26.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 58.3 m -96.07 95.04 7.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.151 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 7.9 mt -87.75 121.14 29.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -106.6 111.21 23.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' CYS . . . . . 0.411 ' HB2' HD11 ' A' ' 49' ' ' LEU . 18.7 t -110.09 152.49 25.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.884 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -140.75 111.84 7.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 45.6 t -104.74 131.35 54.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -118.22 117.19 28.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 54.3 t -90.62 121.94 41.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 144' ' ' VAL . 32.8 m -72.89 117.85 17.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . 0.474 ' HG3' HG23 ' A' ' 10' ' ' VAL . 44.3 mm-40 -105.3 175.48 5.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -86.86 156.6 19.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 2.8 m -72.79 109.73 6.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 32.4 m -102.26 145.87 11.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.124 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -42.83 120.71 1.83 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 43.7 mt -41.74 134.34 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 3.9 m -144.94 130.53 18.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 66.27 106.36 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.489 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.64 145.56 27.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.819 0.343 . . . . 0.0 110.93 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 44.6 m -123.48 143.29 50.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -93.77 -169.85 38.54 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.506 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 130.35 19.22 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.67 2.246 . . . . 0.0 112.352 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 4.1 m -62.96 -56.53 16.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 50.0 m -91.8 141.02 29.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.875 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.528 179.99 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.451 -0.259 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m 62.74 42.63 7.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.856 0.36 . . . . 0.0 110.8 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.5 m -83.64 122.96 29.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.43 77.56 0.15 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.498 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.6 p -118.95 128.73 54.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.881 0.372 . . . . 0.0 110.913 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.0 p -90.52 143.88 26.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.62 -155.23 26.49 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.463 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.401 ' HD2' ' N ' ' A' ' 9' ' ' VAL . 2.3 tmmm? -64.97 145.35 56.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.808 0.337 . . . . 0.0 110.895 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.401 ' N ' ' HD2' ' A' ' 8' ' ' LYS . 7.3 p -140.11 125.58 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.097 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 73.2 t -93.07 108.54 20.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.7 159.33 23.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.498 ' CD1' ' HB3' ' A' ' 39' ' ' SER . 6.0 p90 -151.59 143.63 23.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.537 ' HB2' ' CE1' ' A' ' 138' ' ' PHE . 91.5 p -107.16 131.67 53.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -122.02 105.73 10.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.92 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.1 ttp -87.45 105.42 17.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.865 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.556 ' CZ3' ' HB3' ' A' ' 34' ' ' SER . 8.0 t90 -105.15 112.33 25.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 35.7 m -101.81 132.34 47.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.163 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 32.3 mt -111.2 101.45 12.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.691 ' ND2' ' H ' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -67.6 134.53 51.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.912 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 68.39 48.98 0.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -59.69 -33.85 72.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.6 t -65.45 -21.02 66.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -81.26 -30.03 34.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.885 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 21.1 m -38.27 109.6 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.902 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 24.8 mmm-85 -125.95 90.37 3.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -121.51 118.79 30.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -42.54 158.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.8 ttm -49.2 131.16 19.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.89 -55.28 1.17 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.478 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -40.18 143.06 0.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.876 0.369 . . . . 0.0 110.884 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.428 HG22 ' N ' ' A' ' 32' ' ' ILE . 8.8 p -129.03 154.74 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.127 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.428 ' N ' HG22 ' A' ' 31' ' ' VAL . 96.3 mt -100.25 103.28 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.114 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.8 mtmt -84.23 131.74 34.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.556 ' HB3' ' CZ3' ' A' ' 16' ' ' TRP . 77.7 p -94.55 166.91 11.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.842 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.6 m -59.45 170.96 0.89 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.1 p -89.31 120.67 30.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.138 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 12.3 p90 -111.41 154.29 24.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 79.9 p -133.2 -174.86 3.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.498 ' HB3' ' CD1' ' A' ' 12' ' ' PHE . 97.1 p -82.46 48.17 1.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 42.67 46.11 5.79 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.488 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -169.3 169.71 8.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.782 0.325 . . . . 0.0 111.095 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -64.65 81.5 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.881 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -122.46 101.52 7.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.5 mmmt -43.54 -37.63 2.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.541 HD22 ' NE1' ' A' ' 47' ' ' TRP . 1.6 tt -63.43 126.95 29.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.943 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.3 mmtp -115.34 165.26 13.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.541 ' NE1' HD22 ' A' ' 45' ' ' LEU . 78.4 m95 -141.62 155.36 45.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.947 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 17.4 t -146.89 153.2 39.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 73.9 mt -113.18 131.93 55.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.949 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -105.83 105.8 16.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.757 HG22 HD13 ' A' ' 66' ' ' LEU . 82.5 t -107.27 135.87 44.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.137 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.625 ' O ' HD22 ' A' ' 64' ' ' LEU . 65.7 m-80 -127.18 101.5 25.3 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.635 0.731 . . . . 0.0 110.868 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.472 ' HA ' ' CD2' ' A' ' 64' ' ' LEU . 53.8 Cg_endo -69.69 -47.25 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.656 2.237 . . . . 0.0 112.349 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.2 tttp -84.84 35.42 0.57 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 45.21 -167.68 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.441 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 15.7 mt -119.53 -51.35 2.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.798 0.333 . . . . 0.0 110.904 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 59' ' ' GLU . 0.7 OUTLIER -130.97 154.44 48.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.868 179.854 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -37.09 -30.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 57' ' ' ASP . 21.5 tp10 -55.11 -52.66 62.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 57.2 p -119.46 44.21 2.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.6 ptmm? -67.68 -38.86 84.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -99.61 36.06 1.86 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -142.27 149.19 39.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.625 HD22 ' O ' ' A' ' 52' ' ' ASN . 2.0 tm? -88.69 124.93 34.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.2 t -105.79 122.75 46.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.757 HD13 HG22 ' A' ' 51' ' ' VAL . 36.5 tp -130.51 113.73 14.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.926 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.586 ' CD2' ' N ' ' A' ' 112' ' ' GLY . 25.8 m-85 -118.61 150.67 39.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.552 ' C ' HD13 ' A' ' 68' ' ' LEU . 0.9 OUTLIER -91.58 102.81 15.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.6 tp -96.21 137.99 34.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.62 HD21 ' HB3' ' A' ' 73' ' ' CYS . 24.9 tp -93.4 83.39 4.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.504 HG13 ' H ' ' A' ' 72' ' ' SER . 0.2 OUTLIER -36.06 -61.51 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 179.818 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.504 ' H ' HG13 ' A' ' 71' ' ' VAL . 3.4 m -148.83 159.15 44.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.62 ' HB3' HD21 ' A' ' 70' ' ' LEU . 31.8 p -150.09 143.54 16.7 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.605 0.717 . . . . 0.0 110.869 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -48.95 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.64 2.227 . . . . 0.0 112.357 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.5 pttm -92.36 154.98 18.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 69.2 m -39.87 -59.06 1.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -128.75 154.15 46.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.6 p -141.59 142.77 28.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.093 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.424 ' O ' HG22 ' A' ' 144' ' ' VAL . 27.7 mtp180 -110.53 135.2 51.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -160.16 159.86 32.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.669 ' HG3' ' HB2' ' A' ' 102' ' ' ALA . 47.7 mttt -104.56 121.48 43.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -109.41 144.66 37.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.838 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.9 tmmm? -140.33 137.34 34.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -112.25 147.61 35.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 28.5 p -159.69 161.76 34.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.486 ' O ' HG22 ' A' ' 94' ' ' THR . 36.5 mt -125.32 128.22 72.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.115 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.9 mt -90.51 110.72 21.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.588 ' ND2' ' H ' ' A' ' 92' ' ' GLU . 0.8 OUTLIER -66.35 -173.99 0.24 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -52.29 -37.32 55.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -82.5 14.68 2.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.65 26.06 52.33 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.478 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.588 ' H ' ' ND2' ' A' ' 88' ' ' ASN . 23.1 mm-40 -102.3 134.06 46.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.829 0.347 . . . . 0.0 110.899 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -54.19 130.42 38.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.486 HG22 ' O ' ' A' ' 86' ' ' ILE . 5.4 t -148.02 156.31 42.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 45.69 45.67 11.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.887 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -91.89 165.22 13.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.093 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.482 ' CE ' ' CG ' ' A' ' 113' ' ' PHE . 16.4 mtm -140.86 125.06 17.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -107.7 152.15 24.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 37.8 p -96.73 160.07 14.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 14.9 tm0? -67.37 -43.98 80.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 31.1 mtm180 -158.69 176.64 12.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.669 ' HB2' ' HG3' ' A' ' 81' ' ' LYS . . . -69.78 149.78 47.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -113.06 173.6 6.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -85.28 98.44 10.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.463 ' HB3' HD22 ' A' ' 70' ' ' LEU . 14.1 m-85 -89.1 131.31 35.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.567 HG22 ' HB2' ' A' ' 109' ' ' LYS . 19.2 m -139.52 157.19 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.105 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -45.38 104.42 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.93 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 91.47 28.37 14.79 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.482 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.567 ' HB2' HG22 ' A' ' 106' ' ' VAL . 15.9 tptt -103.2 128.86 50.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.807 0.337 . . . . 0.0 110.944 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -113.85 124.64 52.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.465 ' CD1' ' HG3' ' A' ' 109' ' ' LYS . 89.9 m95 -137.07 118.12 14.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.969 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.586 ' N ' ' CD2' ' A' ' 67' ' ' TYR . . . -176.81 -152.87 10.16 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.49 ' O ' ' CE1' ' A' ' 67' ' ' TYR . 8.2 m-85 -123.77 151.39 43.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.95 0.405 . . . . 0.0 110.877 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 31.8 tttt -75.76 -56.89 4.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 62.7 mttt -100.3 92.83 5.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -82.25 -46.07 14.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.485 HG13 ' N ' ' A' ' 118' ' ' ARG . 7.2 tp -159.64 152.85 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.181 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.485 ' N ' HG13 ' A' ' 117' ' ' ILE . 11.2 mtt85 -74.16 108.64 7.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.472 ' HA ' HD13 ' A' ' 122' ' ' LEU . 31.7 ttt180 -40.68 -43.44 1.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -60.26 -41.31 92.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.593 ' CZ ' ' OD1' ' A' ' 127' ' ' ASN . 33.2 t80 -54.98 -44.97 74.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.573 ' H ' HD12 ' A' ' 122' ' ' LEU . 6.2 mp -58.48 -62.0 2.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.931 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 7.3 mt -55.65 -36.14 66.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -42.19 145.31 0.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -82.01 -32.05 30.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -47.72 -42.74 25.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.095 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.593 ' OD1' ' CZ ' ' A' ' 121' ' ' PHE . 15.3 m-80 -91.63 -43.21 9.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 65.71 31.63 80.5 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.475 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.552 HD13 ' HB3' ' A' ' 127' ' ' ASN . 1.6 mp -57.13 -26.61 60.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.846 0.355 . . . . 0.0 110.887 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 6.6 mt -123.22 81.77 52.02 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.632 0.73 . . . . 0.0 110.948 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -31.42 20.48 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.625 2.217 . . . . 0.0 112.384 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -114.11 27.38 9.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 57.96 31.18 20.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 4.2 ptpt -130.61 131.45 44.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 59.5 tp -95.05 121.06 36.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 88.0 m -100.67 98.9 9.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 10.3 mt -89.54 116.0 27.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.948 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . 0.537 ' CE1' ' HB2' ' A' ' 13' ' ' SER . 4.5 t80 -103.17 102.4 12.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 32.0 t -105.08 145.14 30.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -128.61 115.21 17.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 65.0 t -105.64 134.58 46.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.164 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 16.1 m -124.71 110.63 14.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 59.6 t -86.9 125.11 40.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.167 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 144' ' ' VAL . 35.3 m -74.23 124.16 31.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.101 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -125.41 171.55 10.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -80.04 142.91 34.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 82.7 p -65.48 106.8 1.5 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 32.9 m -120.3 157.09 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.143 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -81.98 118.97 23.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 50.2 mm -69.17 98.41 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.096 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 39.7 m -85.67 100.81 12.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . -157.13 -177.12 29.94 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.486 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . 0.534 ' N ' ' CD ' ' A' ' 153' ' ' GLN . 0.0 OUTLIER -133.5 103.07 5.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.788 0.328 . . . . 0.0 110.918 -179.88 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 15.3 m -148.83 148.16 29.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.796 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -108.71 142.42 16.07 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.48 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 119.57 6.49 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.632 2.221 . . . . 0.0 112.348 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 25.6 t -51.25 112.0 0.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 3.8 m -86.94 128.34 35.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.835 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 -179.951 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.5 p -106.27 158.29 16.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.866 0.365 . . . . 0.0 110.885 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.9 t -119.71 156.14 31.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.817 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.439 ' HA3' ' CB ' ' A' ' 146' ' ' ASP . . . 144.01 145.06 4.31 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.483 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 t -65.91 162.81 18.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.859 0.361 . . . . 0.0 110.824 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 t -80.34 143.31 33.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.869 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.35 -114.91 0.32 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.499 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.425 ' HD3' ' N ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -67.59 148.87 50.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.817 0.341 . . . . 0.0 110.887 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.425 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 8.9 p -131.74 130.3 61.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 89.7 t -100.17 112.35 32.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.89 164.39 17.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.556 ' CD1' ' HB2' ' A' ' 39' ' ' SER . 1.7 p90 -150.55 145.26 25.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.894 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.565 ' HB2' ' CE1' ' A' ' 138' ' ' PHE . 89.4 p -108.59 126.87 53.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.701 ' CD2' ' CD1' ' A' ' 37' ' ' PHE . 22.6 t80 -119.95 111.49 17.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 35.3 ttm -87.17 115.85 24.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.862 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.471 ' HZ3' HG23 ' A' ' 51' ' ' VAL . 12.8 t90 -116.99 107.7 14.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.918 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.2 m -98.53 124.15 43.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.112 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 33.7 mt -101.53 98.45 6.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.539 ' ND2' ' H ' ' A' ' 19' ' ' ASN . 0.5 OUTLIER -67.48 132.01 46.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 69.15 43.68 1.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.842 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -55.45 -35.34 65.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 72.4 m -62.4 -23.9 67.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -81.17 -29.25 34.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.407 ' C ' ' HD3' ' A' ' 25' ' ' ARG . 73.4 m -56.18 96.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.407 ' HD3' ' C ' ' A' ' 24' ' ' CYS . 0.5 OUTLIER -127.49 87.9 2.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.877 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -94.31 167.35 11.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -70.04 155.69 40.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.2 tpt -54.38 107.02 0.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 121.81 -50.79 0.82 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.502 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -41.18 160.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.921 0.391 . . . . 0.0 110.869 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.616 HG21 ' HE ' ' A' ' 50' ' ' ARG . 10.0 p -144.65 145.48 21.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.082 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 19.9 mt -93.61 120.48 43.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.22 130.63 47.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.8 p -93.68 170.82 9.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.48 -174.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 55.0 p -107.81 125.3 51.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.186 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.701 ' CD1' ' CD2' ' A' ' 14' ' ' TYR . 5.4 p90 -117.77 144.65 45.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 95.3 p -136.84 -177.81 4.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.556 ' HB2' ' CD1' ' A' ' 12' ' ' PHE . 4.7 t -103.09 -64.64 1.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.836 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -77.41 -178.49 47.93 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.465 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -94.9 -49.51 5.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.788 0.328 . . . . 0.0 111.087 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -91.62 39.65 1.01 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -98.78 150.02 22.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -107.73 -20.02 13.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.517 HD21 ' HZ2' ' A' ' 47' ' ' TRP . 19.6 tp -73.73 115.68 13.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 36.4 mmtm -114.18 161.28 18.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.517 ' HZ2' HD21 ' A' ' 45' ' ' LEU . 63.6 m95 -138.24 154.09 49.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.925 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 12.3 t -141.56 149.2 40.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 43.2 mt -105.28 136.41 44.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.616 ' HE ' HG21 ' A' ' 31' ' ' VAL . 17.8 mtp180 -111.66 109.39 19.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.476 HG22 HD13 ' A' ' 66' ' ' LEU . 61.5 t -105.75 143.44 16.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.426 ' HA ' ' HD2' ' A' ' 53' ' ' PRO . 1.0 OUTLIER -134.68 102.83 11.25 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.606 0.717 . . . . 0.0 110.863 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.582 ' HA ' HD12 ' A' ' 64' ' ' LEU . 53.3 Cg_endo -69.75 -46.34 1.27 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.693 2.262 . . . . 0.0 112.317 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.4 tttm -83.56 -13.75 53.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.99 148.55 4.32 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.464 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 31.8 mt -51.5 -46.39 63.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.781 0.324 . . . . 0.0 110.877 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -146.09 163.31 35.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -46.75 -21.77 0.23 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -51.59 -52.55 46.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -117.48 50.74 1.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.1 ptmm? -82.86 -36.05 25.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.952 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -62.01 -50.48 71.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.453 ' CD1' ' CG ' ' A' ' 115' ' ' LYS . 0.3 OUTLIER -95.73 166.58 11.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.947 -179.875 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.582 HD12 ' HA ' ' A' ' 53' ' ' PRO . 4.0 tp -89.03 142.54 27.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 28.6 t -109.21 102.95 11.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.805 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.565 HD21 ' CD1' ' A' ' 84' ' ' PHE . 34.3 tp -108.06 139.11 43.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.921 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.474 ' CD2' ' N ' ' A' ' 112' ' ' GLY . 37.7 m-85 -144.53 153.05 41.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.697 HD22 ' HB3' ' A' ' 82' ' ' PHE . 41.1 tp -97.83 105.26 17.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.93 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.8 tp -93.79 135.77 34.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.825 HD21 ' HB3' ' A' ' 73' ' ' CYS . 53.5 tp -89.47 87.0 6.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.945 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.575 HG13 ' H ' ' A' ' 72' ' ' SER . 0.2 OUTLIER -40.84 -63.78 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.853 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.575 ' H ' HG13 ' A' ' 71' ' ' VAL . 3.3 m -146.65 142.87 28.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.825 ' HB3' HD21 ' A' ' 70' ' ' LEU . 28.2 p -134.38 140.18 35.03 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.598 0.713 . . . . 0.0 110.93 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -36.27 11.07 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.682 2.255 . . . . 0.0 112.352 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.8 pttm -105.78 152.32 23.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.2 m -39.68 -57.25 1.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.826 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -128.97 155.83 44.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.4 p -145.35 136.96 20.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.104 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.864 ' O ' HG22 ' A' ' 144' ' ' VAL . 22.6 mtt-85 -106.01 133.11 51.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.422 ' HB1' ' O ' ' A' ' 142' ' ' SER . . . -159.35 155.98 27.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.145 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.417 ' HG3' ' HB2' ' A' ' 102' ' ' ALA . 55.1 mttt -101.83 125.01 48.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.697 ' HB3' HD22 ' A' ' 68' ' ' LEU . 44.0 p90 -110.46 153.6 24.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.1 tmmm? -146.8 126.83 13.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.565 ' CD1' HD21 ' A' ' 66' ' ' LEU . 31.5 m-85 -103.76 153.37 20.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.407 ' CB ' ' HB2' ' A' ' 96' ' ' ALA . 62.7 p -165.71 160.01 16.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 18.3 mt -119.67 127.57 75.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.1 mt -90.99 109.8 21.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.947 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' A' ' 90' ' ' LYS . 26.1 p30 -57.66 -176.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.15 -32.43 64.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.071 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.453 ' N ' ' OD1' ' A' ' 88' ' ' ASN . 3.5 mptt -88.01 20.24 3.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.942 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 55.48 33.15 58.53 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.459 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -108.6 135.84 49.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.809 0.338 . . . . 0.0 110.846 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -57.29 137.66 55.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.7 t -161.6 143.47 11.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.125 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 42.2 mmtt 56.65 45.15 22.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.407 ' HB2' ' CB ' ' A' ' 85' ' ' SER . . . -94.6 167.16 11.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.103 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.428 ' HE3' ' CG ' ' A' ' 113' ' ' PHE . 13.7 mtm -141.21 118.85 11.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -92.75 161.68 14.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.837 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 85.7 p -104.15 158.36 16.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -81.27 -72.4 0.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.93 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 5.9 mpt_? -122.45 156.33 34.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.417 ' HB2' ' HG3' ' A' ' 81' ' ' LYS . . . -64.95 144.72 57.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.071 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -107.97 165.41 11.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 18.7 ttm180 -85.42 103.46 14.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.855 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.576 ' CE1' ' HB2' ' A' ' 111' ' ' TRP . 44.8 m-85 -91.52 151.63 20.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.686 ' C ' HD23 ' A' ' 70' ' ' LEU . 29.4 m -151.89 165.07 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.122 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -52.17 106.01 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 91.49 22.56 31.25 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.543 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.508 ' HB2' HG22 ' A' ' 106' ' ' VAL . 11.4 tptt -95.57 150.62 20.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.824 0.345 . . . . 0.0 110.89 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -135.05 121.24 20.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.576 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 81.9 m95 -137.07 128.8 28.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.474 ' N ' ' CD2' ' A' ' 67' ' ' TYR . . . 177.81 -142.07 5.46 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.521 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.428 ' CG ' ' HE3' ' A' ' 97' ' ' MET . 21.1 m-85 -127.23 151.24 48.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.915 0.388 . . . . 0.0 110.87 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 34.0 tttt -81.75 -56.43 4.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.453 ' CG ' ' CD1' ' A' ' 63' ' ' TYR . 0.3 OUTLIER -96.34 94.88 7.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.882 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -83.38 -50.79 7.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.857 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.592 HG21 HD21 ' A' ' 122' ' ' LEU . 4.1 tt -170.82 148.59 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 19.9 mtm180 -60.69 114.21 2.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.759 ' HA ' HD12 ' A' ' 122' ' ' LEU . 20.6 ttt180 -52.98 -39.17 62.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.01 -26.5 66.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.453 ' CZ ' ' HB3' ' A' ' 127' ' ' ASN . 71.5 t80 -77.76 -39.35 44.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.759 HD12 ' HA ' ' A' ' 119' ' ' ARG . 9.1 mt -58.46 -48.57 80.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.95 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.425 ' N ' HD12 ' A' ' 123' ' ' LEU . 6.2 mp -70.1 -41.83 73.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 123' ' ' LEU . 1.4 t70 -37.91 152.51 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -92.21 -31.76 15.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -40.5 -48.1 2.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.086 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.453 ' HB3' ' CZ ' ' A' ' 121' ' ' PHE . 2.1 p30 -84.95 -38.56 19.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 71.38 34.26 63.92 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.453 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.651 ' O ' HD23 ' A' ' 130' ' ' LEU . 69.9 mt -68.17 -18.19 64.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.857 0.36 . . . . 0.0 110.908 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.651 HD23 ' O ' ' A' ' 129' ' ' LEU . 12.5 mt -134.61 80.68 50.0 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.61 0.719 . . . . 0.0 110.949 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -17.69 37.56 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.664 2.243 . . . . 0.0 112.331 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -130.47 28.37 4.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 56.39 31.31 18.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 8.4 ptpt -127.31 122.69 34.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.831 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 47.1 tp -90.57 117.1 28.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.914 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 85.0 m -95.89 96.88 9.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 11.7 mt -87.71 111.06 20.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . 0.565 ' CE1' ' HB2' ' A' ' 13' ' ' SER . 6.7 t80 -98.56 106.33 18.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 38.1 t -110.67 154.15 24.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -139.77 117.24 11.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 46.4 t -103.19 131.78 50.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.132 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . 0.422 ' O ' ' HB1' ' A' ' 80' ' ' ALA . 21.1 m -117.65 110.55 18.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.82 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 89.3 t -83.82 121.76 36.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.158 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.864 HG22 ' O ' ' A' ' 79' ' ' ARG . 27.9 m -82.58 104.59 11.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.115 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -125.64 145.67 50.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . 0.439 ' CB ' ' HA3' ' A' ' 4' ' ' GLY . 11.4 t0 -83.91 53.87 2.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.4 t 51.98 51.33 16.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.842 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 27.7 m -118.71 129.3 75.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.118 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -99.02 147.06 25.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 65.8 mt -84.6 138.6 18.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.092 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 6.1 t -100.3 151.33 21.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.835 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . -107.75 62.34 0.3 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.469 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . 0.568 ' NE2' ' H ' ' A' ' 153' ' ' GLN . 1.4 pm0 -77.48 -15.44 59.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.775 0.321 . . . . 0.0 110.901 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 62.7 m -108.99 -56.01 2.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 140.73 170.06 11.96 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.52 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -23.09 31.04 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.645 2.23 . . . . 0.0 112.368 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 38.6 m -107.27 174.19 6.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 8.2 t -125.48 117.44 23.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.842 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.508 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.437 -0.265 . . . . 0.0 112.437 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.6 p -75.62 138.62 41.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.892 0.377 . . . . 0.0 110.837 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.4 t -59.94 121.63 12.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.825 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.8 43.29 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.486 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 6' ' ' SER . 3.6 m -161.4 106.84 1.34 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.883 0.373 . . . . 0.0 110.865 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 5' ' ' SER . 22.0 m -35.17 141.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.82 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.0 39.72 2.82 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.464 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.463 ' HD3' ' N ' ' A' ' 9' ' ' VAL . 3.1 tmtm? -64.37 149.46 48.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.792 0.329 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.463 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 5.9 p -134.56 128.58 51.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.165 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.475 ' HB ' ' NE2' ' A' ' 145' ' ' GLN . 76.8 t -91.32 101.01 12.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.95 165.66 12.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -153.45 142.96 21.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.843 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.579 ' HB2' ' CE1' ' A' ' 138' ' ' PHE . 61.6 p -107.38 130.92 54.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.549 ' CD2' ' CD2' ' A' ' 37' ' ' PHE . 27.8 t80 -125.94 111.66 15.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 31.6 ttm -88.88 118.02 28.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 8.6 t90 -118.52 99.47 6.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.407 HG21 ' HD3' ' A' ' 134' ' ' LYS . 52.2 m -89.73 112.91 24.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 47.6 mt -87.8 98.92 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.118 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.92 131.52 45.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 73.87 45.96 0.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -54.2 -40.02 67.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.6 p -66.56 -15.82 63.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -99.11 22.44 10.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.404 ' SG ' ' HB2' ' A' ' 53' ' ' PRO . 28.0 p -65.67 131.72 47.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -112.31 88.54 2.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.405 ' CD ' ' HB3' ' A' ' 30' ' ' GLU . 6.5 mm-40 -148.37 130.19 15.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -84.65 177.19 8.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.933 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.5 tpt -53.07 109.3 0.41 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 110.58 -44.07 1.58 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.51 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.405 ' HB3' ' CD ' ' A' ' 26' ' ' GLU . 31.3 mm-40 -40.22 157.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.924 0.392 . . . . 0.0 110.886 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.491 HG21 ' HB3' ' A' ' 50' ' ' ARG . 12.7 p -149.31 142.23 17.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.068 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 18.4 mt -95.05 103.17 14.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.137 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.42 ' HG2' ' CG ' ' A' ' 50' ' ' ARG . 25.3 mtmm -88.1 113.9 24.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 85.3 p -73.46 166.03 23.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.81 -174.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.892 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 44.9 p -95.18 137.31 34.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.155 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.549 ' CD2' ' CD2' ' A' ' 14' ' ' TYR . 19.6 p90 -132.86 145.33 50.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 93.1 p -132.14 174.59 10.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.1 t -60.23 -48.09 83.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.863 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 175.74 -86.75 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.491 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -42.64 164.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.835 0.35 . . . . 0.0 111.066 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -67.16 85.56 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -103.21 135.69 44.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.5 mmmm -64.78 -27.39 68.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.52 HD13 ' HD2' ' A' ' 74' ' ' PRO . 46.1 tp -72.85 127.54 32.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.933 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.0 mmtp -126.09 159.5 32.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.519 ' CZ3' HD13 ' A' ' 70' ' ' LEU . 74.6 m95 -142.05 151.81 42.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.943 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 32.1 p -138.22 167.28 22.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.41 HD22 HD11 ' A' ' 66' ' ' LEU . 19.3 mt -121.16 135.68 55.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.491 ' HB3' HG21 ' A' ' 31' ' ' VAL . 24.2 mtp180 -114.11 108.7 17.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.1 t -108.49 138.34 35.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.66 ' O ' HD22 ' A' ' 64' ' ' LEU . 0.8 OUTLIER -125.67 101.75 29.83 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.652 0.739 . . . . 0.0 110.846 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.486 ' HA ' HD23 ' A' ' 64' ' ' LEU . 54.5 Cg_endo -69.71 -5.41 16.1 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.712 2.275 . . . . 0.0 112.384 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.4 mttp -129.5 8.13 5.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 65.15 -174.17 17.15 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.477 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.441 HD22 ' N ' ' A' ' 56' ' ' LEU . 3.7 mm? -88.0 -35.75 17.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.803 0.335 . . . . 0.0 110.902 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.492 ' CG ' ' N ' ' A' ' 58' ' ' GLU . 14.6 t70 -144.32 171.57 14.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.492 ' N ' ' CG ' ' A' ' 57' ' ' ASP . 70.3 mt-10 -50.8 -17.57 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -63.61 -62.96 1.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.93 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 34.3 t -101.11 39.9 1.35 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.855 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.5 ptmm? -78.54 -33.79 47.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.521 ' OD1' ' CD2' ' A' ' 63' ' ' TYR . 0.5 OUTLIER -76.18 -35.65 59.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 179.847 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.521 ' CD2' ' OD1' ' A' ' 62' ' ' ASP . 8.1 m-85 -90.71 162.57 14.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.66 HD22 ' O ' ' A' ' 52' ' ' ASN . 3.2 tm? -95.24 128.13 41.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.978 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.582 ' N ' HD13 ' A' ' 64' ' ' LEU . 16.0 t -104.05 123.17 46.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.754 HD21 ' CD1' ' A' ' 84' ' ' PHE . 3.1 tp -129.9 113.59 14.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.956 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -112.4 165.67 11.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.919 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.528 HD22 ' HB3' ' A' ' 82' ' ' PHE . 28.0 tp -115.02 100.29 8.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.899 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.846 HD12 ' O ' ' A' ' 109' ' ' LYS . 6.1 tp -92.39 147.38 22.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.813 HD21 ' HB3' ' A' ' 73' ' ' CYS . 43.5 tp -95.29 83.0 3.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.654 HG13 ' H ' ' A' ' 72' ' ' SER . 0.6 OUTLIER -35.61 -64.57 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.153 179.861 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.654 ' H ' HG13 ' A' ' 71' ' ' VAL . 19.4 m -145.57 148.94 33.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.813 ' HB3' HD21 ' A' ' 70' ' ' LEU . 28.5 p -140.35 143.18 32.27 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.626 0.727 . . . . 0.0 110.854 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.52 ' HD2' HD13 ' A' ' 45' ' ' LEU . 54.0 Cg_endo -69.74 -50.72 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.644 2.229 . . . . 0.0 112.382 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 76' ' ' SER . 13.9 pttm -93.5 157.19 16.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 75' ' ' LYS . 47.9 m -37.3 -73.5 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -119.55 152.5 36.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.402 HG12 ' O ' ' A' ' 105' ' ' PHE . 2.7 p -140.92 135.81 33.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.114 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.43 ' O ' HG22 ' A' ' 144' ' ' VAL . 22.3 mtt180 -99.01 135.94 39.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -161.35 161.36 30.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.075 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.458 ' HG3' ' HB2' ' A' ' 102' ' ' ALA . 28.3 mttp -101.87 171.89 7.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.528 ' HB3' HD22 ' A' ' 68' ' ' LEU . 26.0 p90 -152.01 141.8 21.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -142.21 115.9 9.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.754 ' CD1' HD21 ' A' ' 66' ' ' LEU . 36.7 m-85 -98.03 146.64 25.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 31.6 p -158.46 156.43 30.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.407 ' O ' ' N ' ' A' ' 94' ' ' THR . 24.3 mt -116.39 135.55 56.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.16 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.483 HD13 ' O ' ' A' ' 91' ' ' GLY . 4.4 mt -100.46 106.69 18.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.659 ' ND2' ' H ' ' A' ' 92' ' ' GLU . 0.6 OUTLIER -57.56 -174.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 179.921 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.81 -33.14 64.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.487 ' HE2' ' N ' ' A' ' 90' ' ' LYS . 0.6 OUTLIER -80.17 2.42 24.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.483 ' O ' HD13 ' A' ' 87' ' ' LEU . . . 70.72 17.67 75.21 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.473 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.659 ' H ' ' ND2' ' A' ' 88' ' ' ASN . 18.3 mm-40 -97.26 144.49 27.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.802 0.334 . . . . 0.0 110.921 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -60.31 136.61 58.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.451 HG21 ' CD2' ' A' ' 129' ' ' LEU . 5.1 t -155.57 140.84 17.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 25.4 mmtt 55.1 50.35 15.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -98.03 165.85 11.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.064 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.544 ' CE ' ' CG ' ' A' ' 113' ' ' PHE . 11.3 mtm -139.95 129.16 23.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -97.55 157.63 15.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 44.6 t -94.26 151.95 19.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.821 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -72.19 -63.88 1.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.936 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.475 ' O ' ' CE1' ' A' ' 103' ' ' TYR . 6.6 tpt180 -147.48 140.48 25.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.458 ' HB2' ' HG3' ' A' ' 81' ' ' LYS . . . -40.96 152.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.475 ' CE1' ' O ' ' A' ' 101' ' ' ARG . 52.1 m-85 -124.88 172.5 9.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.919 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 26.3 ttp180 -80.19 112.89 17.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.537 ' CZ ' ' HB2' ' A' ' 111' ' ' TRP . 23.9 m-85 -108.65 110.3 21.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.404 ' C ' HD23 ' A' ' 70' ' ' LEU . 1.7 m -120.4 160.3 21.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.19 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -47.69 99.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 104.25 26.96 6.37 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.449 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.846 ' O ' HD12 ' A' ' 69' ' ' LEU . 21.6 tptt -110.52 160.24 16.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.788 0.328 . . . . 0.0 110.879 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' A' ' 68' ' ' LEU . 8.4 t0 -148.63 134.47 18.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.537 ' HB2' ' CZ ' ' A' ' 105' ' ' PHE . 94.6 m95 -145.61 129.21 17.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -177.6 -133.38 1.84 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.473 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.544 ' CG ' ' CE ' ' A' ' 97' ' ' MET . 76.0 m-85 -133.31 149.65 51.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.877 0.37 . . . . 0.0 110.891 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 38.2 tttt -79.09 -52.43 8.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.466 ' HG2' ' CD2' ' A' ' 63' ' ' TYR . 56.9 mttt -112.03 101.39 9.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.401 ' HB3' ' O ' ' A' ' 64' ' ' LEU . 14.9 t80 -81.17 -51.68 8.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.836 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.523 ' CG2' HD21 ' A' ' 122' ' ' LEU . 3.6 tt -169.87 148.9 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.116 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 36.8 mtt-85 -57.71 112.06 1.34 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 7.4 ttt-85 -48.32 -39.3 21.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -58.3 -31.3 67.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.723 ' CE1' HD11 ' A' ' 129' ' ' LEU . 61.3 t80 -70.38 -32.58 70.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.774 ' HA ' HD12 ' A' ' 129' ' ' LEU . 11.7 mt -67.58 -58.27 4.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.718 ' HA ' HD12 ' A' ' 130' ' ' LEU . 6.2 mp -60.31 -44.48 95.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 123' ' ' LEU . 4.4 m-20 -35.9 151.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -91.32 -34.94 14.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -38.82 -45.01 1.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.552 ' CG ' ' CZ ' ' A' ' 121' ' ' PHE . 13.5 m-80 -86.27 -42.42 13.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 75.45 33.56 52.52 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.501 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.774 HD12 ' HA ' ' A' ' 122' ' ' LEU . 50.1 mt -69.51 -21.91 63.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.797 0.332 . . . . 0.0 110.877 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.718 HD12 ' HA ' ' A' ' 123' ' ' LEU . 4.8 mt -130.61 79.91 71.11 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.623 0.725 . . . . 0.0 110.912 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -25.74 28.48 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.697 2.265 . . . . 0.0 112.37 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -120.6 26.7 8.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 60.37 31.31 20.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.407 ' HD3' HG21 ' A' ' 17' ' ' THR . 6.5 ptpt -128.51 129.87 46.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 28.3 tp -96.06 105.35 17.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 84.4 m -82.16 99.31 9.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 11.2 mt -92.37 116.38 28.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . 0.579 ' CE1' ' HB2' ' A' ' 13' ' ' SER . 4.7 t80 -105.84 103.01 12.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 37.3 t -105.36 154.7 19.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -140.38 119.29 12.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 48.8 t -109.43 139.02 34.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 4.2 p -122.17 115.76 22.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 72.2 t -92.77 118.98 39.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.167 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 144' ' ' VAL . 29.3 m -65.59 117.69 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . 0.475 ' NE2' ' HB ' ' A' ' 10' ' ' VAL . 43.8 mt-30 -129.96 92.44 3.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -87.36 -67.4 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 13.2 t -125.61 45.72 2.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.814 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 11.4 m -144.11 139.62 24.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -145.33 153.58 41.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 50.1 mm -64.25 -45.3 96.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 2.6 m -104.39 140.81 37.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . -146.91 -162.92 10.18 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.447 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 50.02 42.12 24.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.803 0.335 . . . . 0.0 110.903 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 53.9 p -50.76 -46.32 59.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 143.64 -180.0 20.64 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.518 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -42.52 3.39 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.699 2.266 . . . . 0.0 112.337 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 57.9 m -50.49 113.27 0.85 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 71.2 p -118.08 98.48 6.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.882 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.524 -179.97 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.6 m -116.12 143.47 45.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.869 0.366 . . . . 0.0 110.851 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -51.25 -61.16 2.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.821 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.17 135.06 3.56 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.434 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.5 p -69.25 149.77 48.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.884 0.374 . . . . 0.0 110.859 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.7 m -131.75 131.79 43.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.22 -115.82 1.32 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.5 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.5 ttpp -74.83 152.57 38.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.861 0.362 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 143' ' ' VAL . 7.5 p -136.44 125.6 37.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.1 t -86.89 106.37 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.48 154.08 31.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -149.54 144.27 26.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.541 ' HB2' ' CE1' ' A' ' 138' ' ' PHE . 69.3 p -110.34 149.16 30.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -142.52 113.41 7.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.941 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.524 ' HG2' HG23 ' A' ' 136' ' ' THR . 33.2 ttm -86.61 119.4 26.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.761 ' CZ2' HD11 ' A' ' 18' ' ' ILE . 9.5 t90 -113.42 98.82 7.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 49.1 m -93.73 104.58 16.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.761 HD11 ' CZ2' ' A' ' 16' ' ' TRP . 36.2 mt -87.27 98.15 7.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.179 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.617 ' ND2' ' H ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -60.19 127.48 32.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 133' ' ' ASP . 21.5 t30 64.42 54.89 1.45 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -57.74 -12.1 2.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.1 t -79.82 -5.51 55.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.639 ' CD1' ' C ' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -71.01 -29.08 64.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.897 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.449 ' C ' ' O ' ' A' ' 23' ' ' PHE . 5.3 p -34.25 108.63 0.06 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -115.45 26.15 10.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -62.43 169.33 2.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -114.84 -57.67 2.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.7 tpt -170.75 131.54 0.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.86 -37.44 2.67 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.429 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.431 ' O ' ' ND2' ' A' ' 52' ' ' ASN . 8.9 mm-40 -46.31 144.39 2.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.848 0.356 . . . . 0.0 110.9 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.915 HG23 ' OD1' ' A' ' 52' ' ' ASN . 9.3 p -135.86 150.88 28.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 31.4 mt -102.31 105.94 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.119 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.8 mttm -90.54 122.88 33.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 59.0 p -86.48 169.46 12.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.836 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 59.1 m -57.48 161.9 3.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 77.7 p -81.24 121.65 26.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.113 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 18.7 p90 -118.5 145.0 45.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.3 p -136.78 171.16 14.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.6 t -53.88 -47.9 70.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.823 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -125.96 -171.2 13.13 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.447 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.88 -61.08 1.9 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.859 0.361 . . . . 0.0 111.104 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -89.49 82.8 6.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.845 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -125.82 135.5 52.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -73.34 -53.16 11.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.89 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.7 HD22 ' NE1' ' A' ' 47' ' ' TRP . 2.9 tt -70.56 125.01 25.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.455 ' N ' HD23 ' A' ' 45' ' ' LEU . 60.7 mmtt -112.21 161.88 16.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.7 ' NE1' HD22 ' A' ' 45' ' ' LEU . 71.0 m95 -139.68 148.42 42.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.867 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.437 ' SG ' HD23 ' A' ' 69' ' ' LEU . 24.6 p -138.23 149.12 45.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.458 HD11 ' CB ' ' A' ' 139' ' ' CYS . 11.1 mt -106.52 138.09 43.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.589 ' HD2' HD22 ' A' ' 69' ' ' LEU . 64.3 mtp180 -115.71 114.75 25.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.558 HG13 HD11 ' A' ' 64' ' ' LEU . 19.1 t -117.96 134.86 60.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.173 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.915 ' OD1' HG23 ' A' ' 31' ' ' VAL . 4.2 m120 -124.99 102.06 31.7 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.61 0.719 . . . . 0.0 110.916 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.479 ' HA ' ' CD2' ' A' ' 64' ' ' LEU . 54.4 Cg_endo -69.71 -23.93 30.45 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.688 2.258 . . . . 0.0 112.369 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.0 ttmt -104.52 13.88 30.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 55.79 173.04 0.13 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.458 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 18.9 mt -88.99 -35.89 16.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.812 0.339 . . . . 0.0 110.942 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -130.54 173.15 11.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -68.73 -7.41 33.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -76.93 -56.34 4.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 59.5 p -104.13 38.88 1.75 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.4 ptmm? -80.23 -30.87 38.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.434 ' C ' ' OD1' ' A' ' 62' ' ' ASP . 5.2 t0 -74.81 -37.43 62.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.85 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -89.09 166.36 13.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.558 HD11 HG13 ' A' ' 51' ' ' VAL . 1.3 tm? -89.95 131.57 35.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.938 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.7 t -103.86 115.84 31.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.549 HD21 ' CD1' ' A' ' 84' ' ' PHE . 12.7 tp -124.75 126.75 46.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.476 ' N ' HD12 ' A' ' 66' ' ' LEU . 50.8 m-85 -131.21 157.72 42.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.955 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.591 ' C ' HD13 ' A' ' 68' ' ' LEU . 0.7 OUTLIER -104.77 111.05 23.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.936 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.754 HD12 ' O ' ' A' ' 109' ' ' LYS . 11.7 tp -104.38 148.75 26.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.951 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.683 HD21 ' HB3' ' A' ' 73' ' ' CYS . 41.4 tp -99.82 85.56 3.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.643 HG13 ' H ' ' A' ' 72' ' ' SER . 0.3 OUTLIER -38.02 -66.11 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.101 179.87 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.643 ' H ' HG13 ' A' ' 71' ' ' VAL . 18.9 m -146.02 147.67 31.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.82 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.683 ' HB3' HD21 ' A' ' 70' ' ' LEU . 26.1 p -137.97 145.99 50.39 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.615 0.722 . . . . 0.0 110.897 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -48.08 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.762 2.308 . . . . 0.0 112.316 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.8 pttm -95.34 169.14 10.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.934 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 66.7 m -48.91 -68.63 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -124.0 155.72 37.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.886 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.5 p -142.36 140.24 29.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 22.3 mtp180 -103.25 133.88 47.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -160.63 159.12 30.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.616 ' HG3' ' HB2' ' A' ' 102' ' ' ALA . 71.1 mttt -107.61 130.08 54.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -113.09 149.02 34.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.3 tmmm? -141.77 141.93 33.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.549 ' CD1' HD21 ' A' ' 66' ' ' LEU . 22.5 m-85 -118.67 140.49 49.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.461 ' CB ' ' HB2' ' A' ' 96' ' ' ALA . 39.1 p -156.02 148.25 23.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.836 -179.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.625 HD11 HG21 ' A' ' 117' ' ' ILE . 24.3 mt -106.43 132.43 53.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.148 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.8 mt -101.81 108.99 20.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.942 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.495 ' ND2' ' HG2' ' A' ' 92' ' ' GLU . 38.3 p30 -60.23 -177.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.86 -19.37 41.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.092 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.451 ' HD2' ' N ' ' A' ' 90' ' ' LYS . 4.3 mptt -95.42 11.74 31.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 58.97 30.56 66.78 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.476 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.495 ' HG2' ' ND2' ' A' ' 88' ' ' ASN . 4.1 pt-20 -103.64 133.23 49.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.866 0.365 . . . . 0.0 110.861 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -61.75 122.64 15.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.3 t -144.79 154.41 42.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 34.2 mmtt 48.64 46.98 21.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.461 ' HB2' ' CB ' ' A' ' 85' ' ' SER . . . -99.66 151.28 21.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.096 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 19.5 mtm -127.6 119.71 26.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -93.4 160.66 14.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 28.8 p -108.44 155.31 20.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -76.58 -66.69 0.78 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -124.54 168.67 12.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.616 ' HB2' ' HG3' ' A' ' 81' ' ' LYS . . . -78.2 158.41 29.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.077 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -117.45 167.49 11.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.419 ' HB3' ' NH1' ' A' ' 104' ' ' ARG . 14.7 ttm105 -78.87 105.77 10.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -96.35 120.25 36.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.513 HG22 ' HB2' ' A' ' 109' ' ' LYS . 19.4 m -132.74 149.27 31.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.139 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -42.08 97.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 106.76 23.12 7.29 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.484 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.754 ' O ' HD12 ' A' ' 69' ' ' LEU . 17.8 tptt -104.91 141.02 37.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.747 0.308 . . . . 0.0 110.943 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -128.67 121.45 28.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.477 ' CD1' ' HG3' ' A' ' 109' ' ' LYS . 93.1 m95 -135.75 132.24 36.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 176.26 -152.5 12.83 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.521 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -117.32 152.09 35.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.936 0.398 . . . . 0.0 110.863 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 34.0 tttt -80.08 -54.85 5.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.933 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 45.9 mttt -104.44 96.92 6.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.882 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.468 ' CD2' HG22 ' A' ' 117' ' ' ILE . 14.4 t80 -80.09 -52.47 7.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.625 HG21 HD11 ' A' ' 86' ' ' ILE . 2.2 tt -169.18 146.54 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.146 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 17.0 mtt85 -59.2 115.81 3.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.548 ' HA ' HD13 ' A' ' 122' ' ' LEU . 33.4 mtp180 -48.06 -43.39 30.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -49.22 -40.4 33.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.475 ' CD2' ' ND2' ' A' ' 127' ' ' ASN . 10.6 t80 -62.91 -33.12 74.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.929 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.56 ' HA ' HD12 ' A' ' 129' ' ' LEU . 6.7 mp -70.7 -56.49 6.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.918 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.624 HD22 ' H ' ' A' ' 123' ' ' LEU . 2.2 mm? -70.99 0.46 7.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -77.45 119.75 21.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -68.19 -34.53 76.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -51.58 -30.0 19.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.051 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.475 ' ND2' ' CD2' ' A' ' 121' ' ' PHE . 57.4 m-20 -89.07 -34.46 16.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.401 ' O ' ' N ' ' A' ' 130' ' ' LEU . . . 82.3 -5.72 71.35 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.457 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.597 ' O ' HD23 ' A' ' 130' ' ' LEU . 31.2 mt -39.49 -29.5 0.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.841 0.353 . . . . 0.0 110.896 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.597 HD23 ' O ' ' A' ' 129' ' ' LEU . 13.5 mt -130.45 87.13 51.27 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.61 0.719 . . . . 0.0 110.908 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -25.01 29.15 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.645 2.23 . . . . 0.0 112.378 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -134.46 26.75 3.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 20' ' ' ASN . 4.2 m-20 65.98 36.62 5.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.879 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -122.73 120.72 34.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 68.5 tp -92.63 100.85 13.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.524 HG23 ' HG2' ' A' ' 15' ' ' MET . 97.1 m -85.91 95.43 9.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.128 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 10.9 mt -89.98 110.4 21.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . 0.541 ' CE1' ' HB2' ' A' ' 13' ' ' SER . 7.9 t80 -92.42 108.2 19.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.953 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' CYS . . . . . 0.458 ' CB ' HD11 ' A' ' 49' ' ' LEU . 48.9 t -108.4 145.21 34.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -131.32 125.79 33.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 45.3 t -114.53 134.92 56.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.111 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 2.9 m -125.28 112.31 16.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.842 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.408 ' O ' HG23 ' A' ' 9' ' ' VAL . 96.4 t -86.86 121.4 37.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.145 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 144' ' ' VAL . 28.0 m -71.3 127.81 33.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.16 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 43.0 mm-40 -109.67 171.0 7.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . 0.824 ' O ' HG22 ' A' ' 148' ' ' VAL . 71.2 m-20 -109.54 70.81 0.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 57.2 p 43.05 42.47 3.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.824 HG22 ' O ' ' A' ' 146' ' ' ASP . 2.7 m -154.86 152.53 9.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.089 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -103.11 174.19 5.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 72.7 mt -106.91 117.75 53.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 37.9 t -59.72 107.43 0.6 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.828 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 155.07 -162.56 30.99 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.472 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 53.9 mm-40 -138.89 149.46 44.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.841 0.353 . . . . 0.0 110.913 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 25.5 m -97.49 -55.11 2.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 118.3 135.95 5.38 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.489 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 176.85 6.18 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.677 2.252 . . . . 0.0 112.393 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 42.0 t -113.0 97.75 6.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 60.3 p 42.75 40.53 2.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.85 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.517 -179.994 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.3 m -60.72 160.1 9.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.829 0.347 . . . . 0.0 110.843 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.6 p -101.05 -61.1 1.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.847 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.61 -59.84 0.36 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.448 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.3 t -112.16 143.67 42.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.9 0.381 . . . . 0.0 110.877 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -141.36 140.96 33.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.14 -108.73 0.37 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.446 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 42.1 tttt -84.8 156.2 21.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.846 0.355 . . . . 0.0 110.841 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.5 p -141.26 131.17 25.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.117 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 84.3 t -100.77 113.39 36.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.077 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.66 151.2 39.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.518 ' CD2' ' HB2' ' A' ' 39' ' ' SER . 21.4 p90 -137.68 146.39 43.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.483 ' HB2' ' CE1' ' A' ' 138' ' ' PHE . 88.9 p -110.42 128.48 55.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.686 ' CD2' ' CD1' ' A' ' 37' ' ' PHE . 38.5 t80 -125.65 108.0 11.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.939 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 26.6 ttm -87.73 121.13 29.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.884 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.451 ' CE3' ' HB3' ' A' ' 34' ' ' SER . 11.4 t90 -116.79 101.49 8.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 98.8 m -92.47 121.54 34.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.18 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 34.3 mt -100.37 98.77 7.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.185 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.441 ' O ' ' CG ' ' A' ' 20' ' ' ASN . 0.4 OUTLIER -58.9 148.06 31.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.441 ' CG ' ' O ' ' A' ' 19' ' ' ASN . 21.0 p30 47.16 46.87 16.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -57.33 -25.99 60.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 40.7 t -73.64 -16.53 61.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -92.13 13.42 19.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.887 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.4 p -41.26 110.08 0.15 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -82.4 -42.91 18.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.909 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 25' ' ' ARG . 26.1 tt0 -37.08 136.22 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -96.9 163.22 13.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 6.4 ttm -38.22 143.7 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.06 -70.88 1.98 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.462 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.403 ' HB3' ' CG ' ' A' ' 26' ' ' GLU . 8.5 mm-40 -42.26 159.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.867 0.365 . . . . 0.0 110.899 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 12.6 p -135.72 145.21 31.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.129 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 60.1 mt -96.5 105.94 17.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.107 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.7 mtmm -89.27 125.72 35.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.451 ' HB3' ' CE3' ' A' ' 16' ' ' TRP . 36.5 p -83.63 173.88 11.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.9 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 77.6 p -60.2 169.93 1.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 44.7 p -93.16 125.81 37.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.098 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.686 ' CD1' ' CD2' ' A' ' 14' ' ' TYR . 9.0 p90 -121.67 148.65 44.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.5 p -136.22 -179.8 5.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.518 ' HB2' ' CD2' ' A' ' 12' ' ' PHE . 24.8 t -90.05 41.64 1.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 140.15 165.64 10.36 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.491 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.12 -48.35 62.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.763 0.316 . . . . 0.0 111.069 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -82.07 42.93 0.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -115.31 130.2 56.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -83.57 -43.91 15.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.711 HD21 ' HZ2' ' A' ' 47' ' ' TRP . 22.8 tp -62.81 121.8 14.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -111.89 168.88 9.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.927 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.711 ' HZ2' HD21 ' A' ' 45' ' ' LEU . 77.8 m95 -148.04 149.95 33.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.475 ' SG ' HD23 ' A' ' 69' ' ' LEU . 21.4 p -142.12 144.32 33.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.859 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 14.4 mt -103.79 133.79 48.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 20.0 mtt180 -107.72 106.18 16.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.83 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.735 HG22 HD13 ' A' ' 66' ' ' LEU . 52.4 t -106.97 143.6 17.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -134.13 102.63 11.95 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.643 0.735 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.614 ' HA ' HD12 ' A' ' 64' ' ' LEU . 53.7 Cg_endo -69.72 -30.86 21.79 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.714 2.276 . . . . 0.0 112.364 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.7 ttmm -100.6 31.96 3.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 43.1 -161.06 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 21.7 mt -121.42 -44.62 2.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.812 0.339 . . . . 0.0 110.915 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -135.02 163.31 30.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -52.07 -19.51 1.94 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -69.67 -46.31 66.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 92.1 p -120.95 46.26 2.07 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.9 ptmm? -88.29 -33.62 17.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.599 ' OD1' ' CD2' ' A' ' 63' ' ' TYR . 0.5 OUTLIER -69.69 -42.51 73.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 179.893 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.599 ' CD2' ' OD1' ' A' ' 62' ' ' ASP . 1.0 OUTLIER -91.09 168.46 11.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 -179.838 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.614 HD12 ' HA ' ' A' ' 53' ' ' PRO . 4.0 tp -89.63 150.14 22.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.92 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 9.3 t -114.41 102.76 10.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.735 HD13 HG22 ' A' ' 51' ' ' VAL . 57.2 tp -108.8 133.68 52.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -143.05 142.76 31.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 56.4 tp -97.44 102.74 14.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.608 HD12 ' O ' ' A' ' 109' ' ' LYS . 7.2 tp -94.48 138.23 32.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.759 HD21 ' HB3' ' A' ' 73' ' ' CYS . 28.4 tp -86.86 83.36 7.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.666 HG13 ' H ' ' A' ' 72' ' ' SER . 0.6 OUTLIER -36.86 -64.71 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.176 179.815 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.666 ' H ' HG13 ' A' ' 71' ' ' VAL . 22.3 t -147.53 144.77 28.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.759 ' HB3' HD21 ' A' ' 70' ' ' LEU . 29.8 p -134.39 142.98 44.91 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.599 0.714 . . . . 0.0 110.898 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -37.07 9.65 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.701 2.268 . . . . 0.0 112.343 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.1 pttm -107.97 155.74 19.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 73.9 m -38.55 -71.44 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.81 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -117.34 154.3 31.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.3 p -141.75 130.85 23.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.153 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.886 ' O ' HG22 ' A' ' 144' ' ' VAL . 33.0 mtp85 -99.24 133.02 44.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -160.7 161.37 32.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.098 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.509 ' HG3' ' HB2' ' A' ' 102' ' ' ALA . 61.5 mttm -104.5 133.51 49.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.942 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -114.83 145.42 42.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.421 ' CG ' ' HG2' ' A' ' 98' ' ' GLU . 5.1 tmmm? -144.57 124.2 13.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.4 ' CG ' HD23 ' A' ' 66' ' ' LEU . 22.2 m-85 -103.64 147.91 26.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 91.3 p -158.88 158.04 32.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.459 HD11 ' CE2' ' A' ' 116' ' ' PHE . 23.3 mt -120.17 132.68 69.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.089 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.6 mt -94.49 106.73 18.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.632 ' ND2' ' H ' ' A' ' 92' ' ' GLU . 0.5 OUTLIER -60.31 -174.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.899 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.83 -35.43 61.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.09 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.05 15.59 2.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.72 23.93 46.19 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.513 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.632 ' H ' ' ND2' ' A' ' 88' ' ' ASN . 21.3 mt-10 -104.3 137.34 42.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.839 0.352 . . . . 0.0 110.893 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -54.26 140.86 31.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.442 HG21 HD11 ' A' ' 129' ' ' LEU . 5.9 t -160.32 143.95 13.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.589 ' HE3' ' CZ ' ' A' ' 121' ' ' PHE . 28.4 mmtt 55.97 45.7 23.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -90.66 158.54 16.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.058 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.408 ' HE3' ' CG ' ' A' ' 113' ' ' PHE . 13.0 mtm -133.55 115.11 14.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.421 ' HG2' ' CG ' ' A' ' 83' ' ' LYS . 22.2 mt-10 -91.25 169.7 10.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.916 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 45.2 t -115.01 151.28 34.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.827 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -59.36 -56.33 23.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 56.9 mtt180 -150.78 175.46 11.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.509 ' HB2' ' HG3' ' A' ' 81' ' ' LYS . . . -65.9 155.26 36.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.114 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -121.94 169.17 11.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.945 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 5.8 ttp-105 -83.8 101.86 11.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -95.3 123.9 39.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.57 ' C ' HD23 ' A' ' 70' ' ' LEU . 19.7 m -128.3 161.18 37.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.161 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -49.71 107.93 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 91.12 23.14 30.5 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.501 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.608 ' O ' HD12 ' A' ' 69' ' ' LEU . 9.0 tptt -98.34 146.98 25.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.816 0.341 . . . . 0.0 110.846 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -130.51 127.61 39.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 88.6 m95 -142.0 132.96 25.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.961 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 173.25 -145.6 8.45 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.498 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.408 ' CG ' ' HE3' ' A' ' 97' ' ' MET . 7.0 m-85 -127.69 152.4 47.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.879 0.371 . . . . 0.0 110.897 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 23.5 tttp -79.62 -56.45 4.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.487 ' HG2' ' CD2' ' A' ' 63' ' ' TYR . 0.2 OUTLIER -98.34 99.94 11.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.921 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.459 ' CE2' HD11 ' A' ' 86' ' ' ILE . 14.4 t80 -86.45 -50.82 6.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.612 HG21 HD21 ' A' ' 122' ' ' LEU . 5.4 tp -167.26 151.3 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.499 ' N ' HG13 ' A' ' 117' ' ' ILE . 15.8 mtm180 -67.34 110.43 3.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.593 ' HA ' HD12 ' A' ' 122' ' ' LEU . 19.0 ttp85 -42.66 -42.12 3.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.62 -35.97 75.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.589 ' CZ ' ' HE3' ' A' ' 95' ' ' LYS . 57.3 t80 -66.79 -26.33 66.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.612 HD21 HG21 ' A' ' 117' ' ' ILE . 13.7 mt -72.4 -46.89 53.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.898 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.83 HD13 HD12 ' A' ' 130' ' ' LEU . 3.1 mm? -74.64 -38.81 62.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.454 ' C ' ' O ' ' A' ' 123' ' ' LEU . 28.6 m-20 -33.78 139.33 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -77.77 -33.39 52.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -47.66 -44.62 27.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.082 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.472 ' HB2' ' CD2' ' A' ' 129' ' ' LEU . 22.2 m-80 -88.57 -46.42 9.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 71.45 40.46 59.94 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.504 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.517 HD21 ' CE1' ' A' ' 121' ' ' PHE . 2.7 mm? -61.54 -24.0 66.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.87 0.367 . . . . 0.0 110.939 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.83 HD12 HD13 ' A' ' 123' ' ' LEU . 2.2 mt -126.91 86.77 58.09 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.638 0.733 . . . . 0.0 110.902 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -30.87 21.52 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.712 2.274 . . . . 0.0 112.323 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -120.42 27.87 8.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.829 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 61.73 25.35 15.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 1.5 ptpt -123.88 124.35 42.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 31.8 tp -88.75 115.75 26.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.938 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 62.9 m -97.82 102.08 13.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.091 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 5.2 mt -96.45 116.26 28.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . 0.483 ' CE1' ' HB2' ' A' ' 13' ' ' SER . 5.9 t80 -102.6 110.15 21.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 49.4 t -112.26 151.88 29.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -134.9 120.14 18.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 48.0 t -111.06 122.04 64.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.181 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 19.3 m -108.25 110.15 21.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 59.7 t -83.9 124.78 39.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.886 HG22 ' O ' ' A' ' 79' ' ' ARG . 21.8 m -86.05 102.68 11.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.117 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -128.27 166.69 18.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.961 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . 0.591 ' O ' HG13 ' A' ' 148' ' ' VAL . 12.9 t70 -68.66 144.57 54.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 2.6 m -48.71 124.76 8.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.851 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.591 HG13 ' O ' ' A' ' 146' ' ' ASP . 26.8 m -128.59 131.11 69.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.169 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -44.48 165.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 45.4 mt -56.4 118.78 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.171 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 6.7 t -102.16 131.49 48.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 84.94 58.52 2.1 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.505 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -56.0 97.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.796 0.331 . . . . 0.0 110.943 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 8.6 t -159.75 131.87 6.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.843 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -47.75 123.18 8.6 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.52 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -178.1 2.2 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.683 2.255 . . . . 0.0 112.309 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 93.1 p -88.53 166.23 14.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.841 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 46.8 t -111.65 161.93 15.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.846 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.492 179.989 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.6 m -65.96 110.47 2.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.891 0.377 . . . . 0.0 110.86 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 t -87.21 166.85 14.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.887 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.69 131.99 0.16 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.508 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 m -76.21 153.11 36.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.846 0.355 . . . . 0.0 110.867 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.3 t -163.41 117.54 1.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.88 -179.54 48.65 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.514 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.466 ' HD3' ' N ' ' A' ' 9' ' ' VAL . 4.4 tmtm? -73.59 150.9 41.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.824 0.345 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.466 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 7.6 p -128.8 135.02 63.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.084 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 82.4 t -100.59 103.49 14.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.099 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.82 162.46 17.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.831 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 13.8 p90 -154.88 144.0 21.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.404 ' HB2' ' CE1' ' A' ' 138' ' ' PHE . 78.5 p -109.99 125.85 53.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.57 ' HB2' ' CD2' ' A' ' 37' ' ' PHE . 45.3 t80 -115.04 110.91 20.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 31.6 ttm -85.57 117.71 24.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.878 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.444 ' C ' ' CD1' ' A' ' 16' ' ' TRP . 7.8 t90 -112.37 101.31 9.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.944 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 96.0 m -98.24 112.49 24.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.147 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.425 ' CG1' ' NE1' ' A' ' 16' ' ' TRP . 29.4 mt -95.94 99.74 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.642 ' ND2' ' H ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -61.56 138.59 58.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 133' ' ' ASP . 74.9 m-80 56.75 51.54 10.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -54.71 -14.15 1.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.0 t -68.73 -21.32 64.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.652 ' CD1' ' C ' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -83.09 -30.19 28.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.852 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.447 ' C ' ' O ' ' A' ' 23' ' ' PHE . 1.7 m -34.08 104.64 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.426 ' NH1' ' HB2' ' A' ' 25' ' ' ARG . 0.8 OUTLIER -128.84 97.58 4.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.853 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 27' ' ' GLU . 0.6 OUTLIER -115.41 93.03 4.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 26' ' ' GLU . 11.2 mm-40 -35.71 152.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.404 ' C ' ' O ' ' A' ' 27' ' ' GLU . 2.8 tpt -37.02 108.41 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.872 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 109.76 -50.52 0.77 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.484 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -39.42 159.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.879 0.371 . . . . 0.0 110.871 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.413 HG21 ' HB3' ' A' ' 50' ' ' ARG . 14.4 p -156.06 141.65 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 46.4 mt -89.01 104.93 15.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.151 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.8 mtmt -90.89 111.76 23.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.2 p -74.06 171.12 14.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.872 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.4 m -59.21 -176.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 20.3 p -99.15 127.84 45.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.135 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.57 ' CD2' ' HB2' ' A' ' 14' ' ' TYR . 30.5 p90 -131.0 141.58 50.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 t -140.17 -176.91 4.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.859 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 82.5 p -63.16 -8.38 7.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.853 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -175.86 137.99 3.97 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.515 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -43.74 -58.68 2.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.821 0.344 . . . . 0.0 111.099 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.2 p30 -76.24 83.48 3.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -151.24 163.72 38.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt -91.77 -48.71 6.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.753 HD23 ' N ' ' A' ' 46' ' ' LYS . 3.0 tt -74.48 137.54 42.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.753 ' N ' HD23 ' A' ' 45' ' ' LEU . 31.9 mmtm -127.55 166.54 17.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.708 ' NE1' HD22 ' A' ' 45' ' ' LEU . 72.6 m95 -145.36 139.74 27.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 24.7 p -128.71 165.45 20.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.93 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.462 HD11 ' CB ' ' A' ' 139' ' ' CYS . 20.5 mt -121.3 132.12 54.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.413 ' HB3' HG21 ' A' ' 31' ' ' VAL . 47.7 mtt180 -109.38 106.07 15.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.848 HG13 HD11 ' A' ' 64' ' ' LEU . 42.9 t -107.68 132.7 54.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.089 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.572 ' O ' HD22 ' A' ' 64' ' ' LEU . 0.7 OUTLIER -121.13 101.82 44.16 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.583 0.706 . . . . 0.0 110.861 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.502 ' HA ' ' CD2' ' A' ' 64' ' ' LEU . 54.2 Cg_endo -69.73 -19.53 36.16 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.73 2.287 . . . . 0.0 112.318 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.1 mttt -106.89 -4.14 19.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 72.94 150.08 1.22 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 81.5 mt -61.97 -59.78 4.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.845 0.355 . . . . 0.0 110.911 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -117.28 169.91 9.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -57.37 -13.49 3.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -64.01 -49.16 73.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 84.8 p -116.32 45.91 1.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.83 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.9 ptmm? -77.71 -31.55 52.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.941 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -87.23 -13.29 44.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.413 ' CE2' ' HG3' ' A' ' 118' ' ' ARG . 10.2 m-85 -107.63 164.93 11.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.848 HD11 HG13 ' A' ' 51' ' ' VAL . 2.2 tm? -94.77 125.23 39.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 t -99.92 113.25 25.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.717 ' HG ' HG22 ' A' ' 51' ' ' VAL . 4.2 tt -125.83 113.9 17.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.944 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -118.5 161.39 20.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.535 ' C ' HD13 ' A' ' 68' ' ' LEU . 1.9 tm? -104.65 100.91 10.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.965 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.407 HD12 ' O ' ' A' ' 109' ' ' LYS . 6.3 tp -94.97 143.13 26.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.849 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.824 HD21 ' HB3' ' A' ' 73' ' ' CYS . 60.0 tp -92.23 89.92 7.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.878 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.583 HG22 ' N ' ' A' ' 72' ' ' SER . 0.1 OUTLIER -42.78 -66.45 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.858 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.583 ' N ' HG22 ' A' ' 71' ' ' VAL . 40.6 t -143.81 141.59 30.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.824 ' HB3' HD21 ' A' ' 70' ' ' LEU . 5.2 p -143.09 129.28 10.38 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.565 0.698 . . . . 0.0 110.876 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -43.71 2.52 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.688 2.259 . . . . 0.0 112.373 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.847 ' HE3' HG13 ' A' ' 78' ' ' VAL . 1.1 pttt -81.69 144.53 31.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 75' ' ' LYS . 36.1 m -33.98 -52.64 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.827 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.472 ' CG ' ' HD2' ' A' ' 104' ' ' ARG . 7.7 pt-20 -137.74 175.75 9.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.838 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.847 HG13 ' HE3' ' A' ' 75' ' ' LYS . 1.9 t -148.27 129.77 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.106 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.539 ' O ' HG22 ' A' ' 144' ' ' VAL . 5.6 mtt-85 -107.6 108.99 20.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -142.25 173.84 11.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.1 mttm -119.19 127.05 52.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.595 ' CD1' ' CZ ' ' A' ' 84' ' ' PHE . 53.0 p90 -107.55 146.56 31.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.432 ' HD3' ' HB1' ' A' ' 96' ' ' ALA . 2.7 tmmm? -139.32 123.1 17.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.955 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.595 ' CZ ' ' CD1' ' A' ' 82' ' ' PHE . 6.7 m-85 -107.32 138.25 43.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.895 ' OG ' ' HB2' ' A' ' 96' ' ' ALA . 1.4 t -150.51 179.34 8.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 -179.722 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.54 ' O ' HG22 ' A' ' 94' ' ' THR . 17.1 mt -138.03 134.17 44.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.132 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.0 mt -93.48 107.43 19.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.914 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.416 ' OD1' ' N ' ' A' ' 90' ' ' LYS . 42.3 p30 -62.04 -176.51 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.92 -27.31 51.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.162 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.448 ' HD2' ' N ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -91.33 13.72 16.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.15 32.16 59.73 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.491 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -109.88 121.33 44.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.782 0.325 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -42.98 135.58 3.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.54 HG22 ' O ' ' A' ' 86' ' ' ILE . 5.8 t -151.23 148.31 28.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.52 ' HE2' ' CE2' ' A' ' 121' ' ' PHE . 32.0 mmtm 55.12 41.41 31.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.895 ' HB2' ' OG ' ' A' ' 85' ' ' SER . . . -84.26 154.33 23.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 7.6 mtm -143.68 114.71 7.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -111.9 170.86 7.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 6.7 t -116.13 141.82 47.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.849 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -56.78 -68.69 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -101.64 170.27 8.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -79.67 163.74 24.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -121.02 153.65 37.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.472 ' HD2' ' CG ' ' A' ' 77' ' ' GLU . 7.6 tpp180 -74.42 130.47 39.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.886 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.699 ' HB3' HD22 ' A' ' 70' ' ' LEU . 23.4 m-85 -120.3 136.12 54.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.64 HG22 ' HB2' ' A' ' 109' ' ' LYS . 17.5 m -142.87 144.59 24.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.123 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -38.85 92.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 106' ' ' VAL . . . 111.59 21.38 6.5 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.64 ' HB2' HG22 ' A' ' 106' ' ' VAL . 26.3 tptt -106.21 145.67 31.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.775 0.321 . . . . 0.0 110.911 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -135.91 125.34 24.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -132.68 135.71 45.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.492 ' HA2' ' CZ ' ' A' ' 82' ' ' PHE . . . 172.11 -149.34 11.67 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.47 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -123.18 155.02 37.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.913 0.387 . . . . 0.0 110.892 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 26.9 tttt -81.92 -55.28 4.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 40.5 mttt -101.37 93.56 5.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.902 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -81.92 -48.62 11.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.587 ' CG2' HD11 ' A' ' 122' ' ' LEU . 8.0 tp -163.73 152.58 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.172 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.478 ' N ' HG13 ' A' ' 117' ' ' ILE . 26.5 mtm180 -72.92 112.13 8.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.512 ' HA ' HD13 ' A' ' 122' ' ' LEU . 14.7 ttp180 -48.13 -35.64 11.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.94 -33.27 75.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.52 ' CE2' ' HE2' ' A' ' 95' ' ' LYS . 83.5 t80 -66.87 -35.33 79.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.587 HD11 ' CG2' ' A' ' 117' ' ' ILE . 5.9 mp -65.9 -67.61 0.43 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.6 mt -51.45 -18.28 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -49.2 161.11 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -98.46 -33.85 10.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -56.07 -38.51 70.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.126 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.485 ' HB2' ' CD2' ' A' ' 129' ' ' LEU . 12.0 m-20 -92.27 -38.45 12.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 61.87 43.53 99.08 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.503 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.706 ' O ' HD23 ' A' ' 130' ' ' LEU . 1.9 mm? -61.81 -12.9 19.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.807 0.337 . . . . 0.0 110.92 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.706 HD23 ' O ' ' A' ' 129' ' ' LEU . 2.7 mt -133.79 89.21 30.81 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.578 0.704 . . . . 0.0 110.904 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 130' ' ' LEU . 53.2 Cg_endo -69.82 -34.37 14.51 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.681 2.254 . . . . 0.0 112.331 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -120.7 26.5 9.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 20' ' ' ASN . 5.6 m-20 65.13 32.41 10.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 4.6 ptpt -127.77 138.77 52.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.406 HD13 HD23 ' A' ' 122' ' ' LEU . 50.2 tp -101.07 95.9 6.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.934 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 90.2 m -78.66 96.4 5.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.15 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 13.2 mt -89.99 112.27 23.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . 0.404 ' CE1' ' HB2' ' A' ' 13' ' ' SER . 15.1 t80 -97.94 105.36 17.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' CYS . . . . . 0.462 ' CB ' HD11 ' A' ' 49' ' ' LEU . 49.7 t -103.68 147.13 27.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -135.76 113.48 10.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 15.6 t -110.15 135.17 50.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 19.9 m -122.67 107.41 11.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.854 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 93.5 t -84.39 128.82 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 144' ' ' VAL . 12.8 m -78.92 117.45 24.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.169 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -122.09 179.26 4.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.941 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -79.05 165.84 22.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 50.4 p -76.95 132.33 38.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.488 ' O ' HG23 ' A' ' 148' ' ' VAL . 33.1 m -154.4 122.74 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.119 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -71.32 106.83 4.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . 0.712 HD12 ' H ' ' A' ' 150' ' ' ILE . 5.4 mp -52.54 97.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.157 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 56.9 p -54.01 161.99 1.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 70.43 138.36 0.14 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.463 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -85.88 -34.52 20.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.788 0.328 . . . . 0.0 110.887 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 26.7 t -104.1 -59.7 1.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 131.77 146.28 5.72 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 0.47 5.61 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.686 2.257 . . . . 0.0 112.333 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 28.1 m -72.83 121.65 20.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 5.1 t -80.44 127.41 32.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.495 -179.942 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.6 p -56.91 -41.63 78.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.875 0.369 . . . . 0.0 110.843 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.9 m -122.38 111.63 17.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.857 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.06 -127.63 0.91 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.529 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.1 t -146.27 154.89 42.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.892 0.377 . . . . 0.0 110.852 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.6 t -128.79 132.51 47.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.824 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.83 -125.71 0.93 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.466 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.467 ' HD2' ' N ' ' A' ' 9' ' ' VAL . 2.4 tmmm? -71.78 147.26 47.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.783 0.325 . . . . 0.0 110.928 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.659 HG13 ' HE2' ' A' ' 11' ' ' LYS . 2.7 p -137.79 162.53 31.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.58 ' N ' HG22 ' A' ' 9' ' ' VAL . 55.9 t -120.66 97.6 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.097 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.659 ' HE2' HG13 ' A' ' 9' ' ' VAL . 11.4 mtmt -104.03 170.79 7.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.559 ' CZ ' ' HB ' ' A' ' 141' ' ' VAL . 25.9 p90 -169.32 133.69 1.41 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 89.1 p -109.01 141.17 41.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -131.15 110.01 10.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 33.8 ttm -85.95 117.73 24.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.88 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.704 ' CZ2' HD11 ' A' ' 18' ' ' ILE . 8.6 t90 -115.93 98.7 6.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.954 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 99.1 m -91.43 107.69 19.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.17 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.704 HD11 ' CZ2' ' A' ' 16' ' ' TRP . 21.5 mt -87.73 99.51 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.089 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.565 ' ND2' ' H ' ' A' ' 19' ' ' ASN . 0.3 OUTLIER -65.88 130.42 43.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.855 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.436 ' OD1' ' N ' ' A' ' 20' ' ' ASN . 0.4 OUTLIER 67.5 52.13 0.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.459 ' CE1' ' HB3' ' A' ' 53' ' ' PRO . 54.5 t80 -69.12 -44.11 73.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.9 t -65.79 -10.34 36.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -90.1 -25.66 20.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.863 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.663 ' SG ' HD11 ' A' ' 32' ' ' ILE . 5.3 t -45.86 101.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.1 mmm180 -88.63 23.11 2.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.475 ' O ' ' CE ' ' A' ' 54' ' ' LYS . 7.9 tp10 -52.27 162.57 0.49 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.447 ' HG3' ' N ' ' A' ' 28' ' ' MET . 3.8 tt0 -104.97 154.11 20.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.447 ' N ' ' HG3' ' A' ' 27' ' ' GLU . 5.1 ttm -43.87 134.72 4.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.25 -62.28 0.88 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.487 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -40.7 136.01 1.48 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.94 0.4 . . . . 0.0 110.846 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.0 p -123.72 141.94 42.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.131 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.663 HD11 ' SG ' ' A' ' 24' ' ' CYS . 85.1 mt -92.25 101.87 13.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.5 mttm -84.56 116.62 23.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 83.4 p -76.23 169.25 18.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.829 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.7 m -60.79 170.97 1.29 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.868 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 73.0 p -86.39 123.99 32.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.183 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -116.33 156.11 27.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.5 p -139.79 -176.02 4.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.841 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 92.0 p -59.66 -36.63 76.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.801 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 170.09 -97.98 0.13 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.477 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -49.44 174.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.8 0.333 . . . . 0.0 111.073 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 32.4 m-80 -62.43 93.22 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -101.89 164.13 11.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -85.16 -46.59 10.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.667 HD22 ' NE1' ' A' ' 47' ' ' TRP . 1.7 tt -71.33 120.64 17.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 36.5 mmtm -115.44 162.0 17.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.667 ' NE1' HD22 ' A' ' 45' ' ' LEU . 77.2 m95 -139.12 157.4 46.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.954 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.447 ' SG ' HD23 ' A' ' 69' ' ' LEU . 1.9 p -143.03 148.93 37.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 49' ' ' LEU . 11.6 mt -107.72 132.64 53.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 40.1 mtp180 -111.04 103.72 12.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.502 HG13 HD21 ' A' ' 64' ' ' LEU . 61.3 t -107.29 135.89 44.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -122.06 102.2 40.86 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.63 0.729 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.596 ' HA ' HD12 ' A' ' 64' ' ' LEU . 53.8 Cg_endo -69.7 -15.88 37.54 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.717 2.278 . . . . 0.0 112.321 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.475 ' CE ' ' O ' ' A' ' 26' ' ' GLU . 18.7 mttm -116.25 25.32 10.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.914 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 50.11 -156.97 2.01 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.481 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.4 mt -125.12 -44.94 1.88 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.782 0.325 . . . . 0.0 110.91 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.453 ' OD2' ' CE ' ' A' ' 114' ' ' LYS . 0.1 OUTLIER -127.64 161.43 28.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.831 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -48.42 -30.94 5.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.937 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -62.71 -60.96 2.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.401 ' CB ' ' HD3' ' A' ' 115' ' ' LYS . 92.5 p -93.03 39.88 1.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.888 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.408 ' CG ' ' N ' ' A' ' 62' ' ' ASP . 13.5 ptmt -85.88 -43.71 13.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.408 ' N ' ' CG ' ' A' ' 61' ' ' LYS . 14.7 t0 -66.42 -23.83 66.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.837 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.581 ' CE2' ' HG3' ' A' ' 118' ' ' ARG . 2.3 m-85 -106.5 167.29 9.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.596 HD12 ' HA ' ' A' ' 53' ' ' PRO . 4.3 tp -90.57 141.08 29.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.916 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.3 t -109.16 99.3 8.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.667 HD22 ' CE2' ' A' ' 84' ' ' PHE . 6.5 tt -108.45 139.14 43.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.914 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.507 ' N ' HD23 ' A' ' 66' ' ' LEU . 41.7 m-85 -143.77 144.63 31.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' A' ' 82' ' ' PHE . 20.9 tp -98.52 109.71 22.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.928 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.831 HD12 ' O ' ' A' ' 109' ' ' LYS . 6.0 tp -100.36 148.19 24.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.937 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.736 HD22 ' HB3' ' A' ' 105' ' ' PHE . 53.9 tp -95.46 88.12 4.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.653 HG13 ' H ' ' A' ' 72' ' ' SER . 0.8 OUTLIER -43.27 -61.67 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.81 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.653 ' H ' HG13 ' A' ' 71' ' ' VAL . 9.4 m -144.94 150.98 37.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.714 ' HB3' HD21 ' A' ' 70' ' ' LEU . 16.7 p -151.66 136.99 10.77 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.617 0.722 . . . . 0.0 110.88 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -51.14 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.719 2.279 . . . . 0.0 112.299 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.817 ' HE2' HG13 ' A' ' 78' ' ' VAL . 15.0 pttm -83.35 149.48 26.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 75' ' ' LYS . 33.3 t -34.12 -54.61 0.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.401 ' HA ' ' O ' ' A' ' 105' ' ' PHE . 5.5 pt-20 -134.74 170.88 15.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.901 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.817 HG13 ' HE2' ' A' ' 75' ' ' LYS . 2.3 t -139.39 131.24 35.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -106.42 109.11 20.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -146.4 158.87 43.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.137 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.521 ' HG3' ' HB2' ' A' ' 102' ' ' ALA . 56.1 mttt -106.7 121.87 45.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.466 ' HB3' ' CD2' ' A' ' 68' ' ' LEU . 53.8 p90 -105.94 153.54 21.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.861 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.34 126.17 14.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.667 ' CE2' HD22 ' A' ' 66' ' ' LEU . 21.8 m-85 -99.46 145.27 27.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.503 ' CB ' ' HB2' ' A' ' 96' ' ' ALA . 89.0 p -158.99 154.9 26.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.816 HD11 HG21 ' A' ' 117' ' ' ILE . 43.7 mt -114.82 130.31 69.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.162 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.4 mt -94.16 108.02 19.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.449 ' C ' ' OD1' ' A' ' 88' ' ' ASN . 25.1 p30 -56.4 179.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -52.02 -33.18 37.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.079 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.437 ' HD2' ' N ' ' A' ' 90' ' ' LYS . 1.1 mptp? -85.4 17.84 2.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 55.85 23.73 38.83 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.53 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -97.9 139.84 33.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.874 0.369 . . . . 0.0 110.859 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -60.55 136.9 58.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.9 t -162.58 137.52 6.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.161 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.58 ' HE3' ' CE2' ' A' ' 121' ' ' PHE . 23.4 mmtt 63.7 48.7 3.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.503 ' HB2' ' CB ' ' A' ' 85' ' ' SER . . . -101.06 144.41 30.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.074 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.437 ' CE ' ' CG ' ' A' ' 113' ' ' PHE . 9.0 mtm -117.19 125.07 50.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -96.46 164.02 12.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.1 t -113.83 152.88 30.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -62.48 -66.41 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 24.6 mtp180 -137.72 176.51 8.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.521 ' HB2' ' HG3' ' A' ' 81' ' ' LYS . . . -64.7 158.12 25.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.098 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -123.64 165.4 17.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.438 ' CZ ' HG11 ' A' ' 106' ' ' VAL . 61.0 ttt-85 -80.99 121.62 26.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.736 ' HB3' HD22 ' A' ' 70' ' ' LEU . 7.9 m-85 -113.11 120.96 43.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.847 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.598 HG22 ' HB2' ' A' ' 109' ' ' LYS . 15.9 m -130.93 143.49 40.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.146 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -39.91 95.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 106' ' ' VAL . . . 109.8 23.89 6.02 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.488 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.831 ' O ' HD12 ' A' ' 69' ' ' LEU . 17.9 tptt -106.64 153.27 22.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.749 0.309 . . . . 0.0 110.91 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -139.45 125.05 19.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -137.24 127.92 27.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.972 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -175.58 -143.95 4.82 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.502 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.437 ' CG ' ' CE ' ' A' ' 97' ' ' MET . 15.1 m-85 -133.0 151.37 52.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.944 0.402 . . . . 0.0 110.854 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.453 ' CE ' ' OD2' ' A' ' 57' ' ' ASP . 21.9 tttp -78.78 -53.84 6.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.851 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.401 ' HD3' ' CB ' ' A' ' 60' ' ' SER . 12.2 mmtp -101.88 96.4 7.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.656 ' CD2' HG22 ' A' ' 117' ' ' ILE . 27.6 t80 -85.05 -49.21 8.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.816 HG21 HD11 ' A' ' 86' ' ' ILE . 1.0 OUTLIER -171.41 144.09 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.581 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 62.6 mtt180 -57.49 110.9 0.95 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.429 ' HA ' HD13 ' A' ' 122' ' ' LEU . 19.8 ttp180 -45.43 -36.25 4.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -57.36 -42.92 82.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.58 ' CE2' ' HE3' ' A' ' 95' ' ' LYS . 46.0 t80 -54.1 -41.12 67.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.429 HD13 ' HA ' ' A' ' 119' ' ' ARG . 8.9 mp -58.95 -61.96 2.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.948 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.475 ' N ' ' CD1' ' A' ' 123' ' ' LEU . 3.2 mp -60.84 -32.23 71.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.514 ' OD2' ' HB3' ' A' ' 126' ' ' ALA . 20.9 t70 -39.62 149.24 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.836 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -93.12 -38.14 11.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.514 ' HB3' ' OD2' ' A' ' 124' ' ' ASP . . . -47.25 -35.35 7.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.047 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.55 ' CG ' ' CZ ' ' A' ' 121' ' ' PHE . 60.8 m-80 -95.05 -45.07 7.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 71.7 47.58 32.76 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.461 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.54 ' CD2' ' CB ' ' A' ' 127' ' ' ASN . 4.0 mm? -68.09 -17.88 64.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.861 0.363 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.437 HD21 HD23 ' A' ' 135' ' ' LEU . 3.0 mt -134.41 95.52 16.23 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.576 0.703 . . . . 0.0 110.917 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -32.73 18.23 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.699 2.266 . . . . 0.0 112.321 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -128.6 28.23 5.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 20' ' ' ASN . 36.0 m-20 67.62 26.82 7.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -110.11 119.6 39.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.649 HD11 ' HG ' ' A' ' 137' ' ' LEU . 2.1 tm? -88.23 101.02 13.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.921 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 29.0 m -90.89 96.63 10.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.649 ' HG ' HD11 ' A' ' 135' ' ' LEU . 5.0 mt -94.34 110.63 22.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.936 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -94.17 116.82 29.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 51.4 t -114.55 150.55 34.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -136.01 117.66 14.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.559 ' HB ' ' CZ ' ' A' ' 12' ' ' PHE . 31.5 t -113.37 136.59 49.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.086 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . 0.503 ' CB ' ' HG2' ' A' ' 11' ' ' LYS . 1.2 m -118.78 105.2 11.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.83 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 54.9 t -84.41 127.76 39.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 144' ' ' VAL . 9.4 m -77.73 118.93 25.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.109 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 47.8 mm-40 -104.32 -176.96 3.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -143.13 136.09 27.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 73.8 m -64.4 97.36 0.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 27.7 m -95.27 130.1 44.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.134 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -76.33 142.3 41.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 27.2 mm -72.76 120.39 21.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 48.0 t -87.5 -48.71 7.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 175.77 101.36 0.14 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.462 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -88.93 103.3 15.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 0.0 110.851 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.3 t -133.85 142.27 47.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 111.56 146.17 10.29 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.498 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 99.07 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.68 2.253 . . . . 0.0 112.317 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 54.1 p -120.62 143.13 48.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 62.5 m -39.03 101.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.466 -179.97 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.7 p -145.77 131.03 18.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.897 0.38 . . . . 0.0 110.835 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.1 t -62.52 -56.91 13.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.858 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.84 -126.78 2.72 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.497 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -55.61 174.6 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.868 0.366 . . . . 0.0 110.87 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.1 p -65.01 -56.35 13.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.55 138.14 0.5 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.508 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.0 tttp -65.63 157.42 29.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.809 0.337 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.6 p -139.96 149.65 22.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.145 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.471 ' HB ' ' NE2' ' A' ' 145' ' ' GLN . 56.4 t -112.78 107.69 23.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.22 153.75 35.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -142.24 143.98 33.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.556 ' HB2' ' CZ ' ' A' ' 138' ' ' PHE . 90.3 p -108.12 133.05 52.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.837 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -127.26 109.44 11.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.907 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.46 ' HG2' HG23 ' A' ' 136' ' ' THR . 31.7 ttm -85.47 118.46 25.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.486 ' CZ3' HG23 ' A' ' 51' ' ' VAL . 10.2 t90 -112.27 101.37 9.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.4 m -95.2 118.1 31.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.165 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.4 HD11 ' CZ2' ' A' ' 16' ' ' TRP . 31.4 mt -101.73 100.25 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.687 ' ND2' ' H ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -63.88 136.05 57.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.845 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 56.24 43.65 26.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -51.02 -16.84 0.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 84.0 p -86.56 14.19 7.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.656 ' CD1' ' C ' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -95.93 -37.5 10.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.842 -179.917 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.636 ' SG ' HD11 ' A' ' 32' ' ' ILE . 5.2 m -42.41 104.95 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.433 ' NH1' ' O ' ' A' ' 23' ' ' PHE . 0.6 OUTLIER -113.01 41.44 2.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.817 -179.818 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -79.5 160.11 26.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -82.31 156.28 24.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.0 ttm -42.03 132.82 3.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 105.17 -55.79 0.55 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.472 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -37.97 152.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.927 0.394 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.697 HG23 ' ND2' ' A' ' 52' ' ' ASN . 6.2 p -132.94 168.36 24.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.122 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.636 HD11 ' SG ' ' A' ' 24' ' ' CYS . 56.8 mt -117.73 103.59 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.104 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.5 mtmm -89.01 125.12 34.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 99.1 p -89.17 175.43 7.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.7 m -63.0 -175.27 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.826 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.401 HG22 HG11 ' A' ' 71' ' ' VAL . 31.7 p -107.38 128.75 54.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.148 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.414 ' CD1' ' N ' ' A' ' 37' ' ' PHE . 4.9 p90 -128.7 150.62 50.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 67.6 p -138.85 171.55 14.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.9 p -55.26 -54.64 40.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -113.5 -174.79 19.02 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.504 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.01 -65.0 0.78 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.765 0.316 . . . . 0.0 111.105 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -86.98 81.74 8.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -131.09 135.39 47.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.2 mmtt -73.53 -51.3 17.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.65 HD21 ' HZ2' ' A' ' 47' ' ' TRP . 13.8 tp -61.23 124.7 21.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.924 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 34.1 mmtm -122.41 165.79 15.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.65 ' HZ2' HD21 ' A' ' 45' ' ' LEU . 54.2 m95 -143.62 150.7 39.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.6 t -140.78 153.23 45.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 49' ' ' LEU . 34.4 mt -111.09 143.57 41.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.558 ' NH1' HG11 ' A' ' 31' ' ' VAL . 36.0 mtp85 -116.49 110.39 18.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.486 HG23 ' CZ3' ' A' ' 16' ' ' TRP . 55.7 t -106.42 136.4 41.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.697 ' ND2' HG23 ' A' ' 31' ' ' VAL . 2.0 m120 -130.17 102.49 17.26 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.648 0.737 . . . . 0.0 110.862 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.613 ' HA ' HD12 ' A' ' 64' ' ' LEU . 53.8 Cg_endo -69.78 -38.12 8.18 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.69 2.26 . . . . 0.0 112.318 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.5 ttmm -88.02 -8.7 55.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 73.45 157.38 4.4 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.494 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.3 mt -69.47 -52.61 24.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.796 0.332 . . . . 0.0 110.896 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -130.91 171.03 13.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.7 mp0 -53.66 -17.5 2.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.434 ' CG ' ' HD3' ' A' ' 114' ' ' LYS . 5.2 tp10 -63.64 -41.07 98.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.459 ' HB3' ' CG ' ' A' ' 114' ' ' LYS . 8.9 p -119.28 47.85 1.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.878 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.6 ptmm? -85.58 -37.27 19.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -78.25 -34.06 49.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.437 ' CE2' ' HG3' ' A' ' 118' ' ' ARG . 1.4 m-85 -102.56 166.82 10.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.613 HD12 ' HA ' ' A' ' 53' ' ' PRO . 4.7 tp -89.48 153.9 20.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.9 t -117.15 99.35 6.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 17.9 tp -105.16 120.01 40.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.939 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -130.59 145.54 51.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 51.7 tp -99.76 110.11 22.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.552 HD12 ' O ' ' A' ' 109' ' ' LYS . 6.1 tp -100.87 139.75 36.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.865 HD21 ' HB3' ' A' ' 73' ' ' CYS . 28.8 tp -88.34 86.01 6.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.948 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.566 HG13 ' H ' ' A' ' 72' ' ' SER . 0.2 OUTLIER -41.27 -63.98 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 179.902 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.566 ' H ' HG13 ' A' ' 71' ' ' VAL . 41.0 t -145.12 142.15 29.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.865 ' HB3' HD21 ' A' ' 70' ' ' LEU . 11.1 p -138.13 135.64 18.73 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.59 0.71 . . . . 0.0 110.904 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.443 ' CD ' ' HB2' ' A' ' 45' ' ' LEU . 53.4 Cg_endo -69.78 -44.0 2.31 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.673 2.249 . . . . 0.0 112.344 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.888 ' HE3' HG13 ' A' ' 78' ' ' VAL . 3.1 pttt -90.43 149.22 22.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 75' ' ' LYS . 3.3 m -34.86 -54.42 0.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.795 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -136.05 168.18 19.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.888 HG13 ' HE3' ' A' ' 75' ' ' LYS . 2.0 t -140.04 130.15 29.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.107 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.772 ' O ' HG22 ' A' ' 144' ' ' VAL . 9.9 mtt180 -107.98 108.63 19.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -144.29 160.69 40.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.097 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.547 ' HG3' ' HB2' ' A' ' 102' ' ' ALA . 26.4 mttp -106.93 128.27 54.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -110.15 153.74 24.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.912 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.411 ' C ' ' HD2' ' A' ' 83' ' ' LYS . 4.9 tmmm? -145.87 125.73 13.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -101.02 140.63 35.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.907 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.421 ' CB ' ' HB2' ' A' ' 96' ' ' ALA . 89.8 p -155.54 149.55 25.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.658 HD11 HG21 ' A' ' 117' ' ' ILE . 24.0 mt -109.73 134.51 51.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.0 mt -98.12 106.94 19.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 48.1 p30 -57.82 -175.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.61 -32.24 65.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.12 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -86.15 16.34 4.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 58.42 25.81 58.43 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.467 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -100.5 143.9 30.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.854 0.359 . . . . 0.0 110.891 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -64.98 133.66 52.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.975 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.3 t -153.92 147.9 25.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.483 ' HE2' ' CE2' ' A' ' 121' ' ' PHE . 33.9 mmtt 49.84 49.26 20.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.421 ' HB2' ' CB ' ' A' ' 85' ' ' SER . . . -102.68 153.54 20.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.074 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 16.8 mtm -125.9 129.13 48.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -98.84 166.9 11.08 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.4 t -112.92 155.89 23.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 14.0 mp0 -76.15 -65.3 0.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.943 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 42.4 mtm180 -131.36 169.71 15.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.547 ' HB2' ' HG3' ' A' ' 81' ' ' LYS . . . -72.23 153.45 41.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.095 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -117.76 162.97 17.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 19.9 ttm180 -79.3 124.73 28.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.728 ' HB3' HD22 ' A' ' 70' ' ' LEU . 39.3 m-85 -113.4 125.93 54.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.938 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.524 HG22 ' HB2' ' A' ' 109' ' ' LYS . 11.3 m -134.47 142.4 40.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.168 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 106' ' ' VAL . 9.7 tt0 -36.14 93.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 106' ' ' VAL . . . 112.97 21.29 6.03 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.528 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.552 ' O ' HD12 ' A' ' 69' ' ' LEU . 23.1 tptt -105.38 150.68 25.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.749 0.309 . . . . 0.0 110.932 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -140.65 120.29 13.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 82.1 m95 -130.2 128.56 41.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -179.25 -146.88 6.94 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.501 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -126.89 149.41 49.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.923 0.392 . . . . 0.0 110.896 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.459 ' CG ' ' HB3' ' A' ' 60' ' ' SER . 12.8 ttmt -79.22 -52.88 7.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 65.4 mttt -100.96 99.87 10.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.533 ' CD2' HG22 ' A' ' 117' ' ' ILE . 14.5 t80 -85.47 -57.43 3.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.658 HG21 HD11 ' A' ' 86' ' ' ILE . 1.1 tt -166.83 145.51 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.14 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.457 ' N ' HG13 ' A' ' 117' ' ' ILE . 16.8 mtm180 -54.68 120.25 6.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.499 ' NH1' HD11 ' A' ' 123' ' ' LEU . 7.2 ttt-85 -57.33 -32.35 66.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -66.62 -25.83 66.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.483 ' CE2' ' HE2' ' A' ' 95' ' ' LYS . 44.8 t80 -72.44 -34.95 68.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.531 HD11 HG12 ' A' ' 117' ' ' ILE . 7.1 mp -69.16 -59.29 3.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.966 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.517 ' HA ' HD12 ' A' ' 130' ' ' LEU . 7.8 mt -59.52 -19.74 50.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -53.59 160.99 1.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -102.7 -33.72 9.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -45.28 -41.17 8.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.054 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.464 ' CB ' HD13 ' A' ' 129' ' ' LEU . 16.1 m-80 -89.57 -42.36 11.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 78.9 15.83 80.02 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.466 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.464 HD13 ' CB ' ' A' ' 127' ' ' ASN . 0.7 OUTLIER -43.19 -25.49 0.12 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.824 0.345 . . . . 0.0 110.924 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.517 HD12 ' HA ' ' A' ' 123' ' ' LEU . 2.5 mt -126.43 82.07 66.8 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.608 0.718 . . . . 0.0 110.912 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -26.01 28.14 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.697 2.265 . . . . 0.0 112.343 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -124.13 25.21 7.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 62.95 30.19 16.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 8.7 ptpt -130.51 124.24 31.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 12.3 tp -91.13 123.04 34.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.46 HG23 ' HG2' ' A' ' 15' ' ' MET . 54.1 m -101.38 103.97 14.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.107 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 13.4 mt -94.65 112.97 24.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.94 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . 0.556 ' CZ ' ' HB2' ' A' ' 13' ' ' SER . 19.0 t80 -98.2 108.95 21.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 43.8 t -109.08 139.47 43.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -125.61 117.0 22.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 18.9 t -112.39 128.0 69.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.103 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 16.1 m -113.49 110.9 21.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 51.4 t -84.07 129.1 38.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.772 HG22 ' O ' ' A' ' 79' ' ' ARG . 22.6 m -88.52 100.45 10.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.139 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . 0.471 ' NE2' ' HB ' ' A' ' 10' ' ' VAL . 4.9 pt20 -120.72 139.55 52.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . 0.666 ' O ' HG13 ' A' ' 148' ' ' VAL . 6.0 m-20 -36.67 128.14 0.83 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 11.3 t -54.53 102.05 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.666 HG13 ' O ' ' A' ' 146' ' ' ASP . 25.1 m -118.52 158.34 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 57.2 m-20 -75.39 147.79 39.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 60.4 mt -70.42 126.75 31.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 37.8 t -81.92 -50.07 9.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 169.09 65.0 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.491 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -80.22 83.01 6.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.85 0.357 . . . . 0.0 110.92 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 30.7 t -93.87 -53.43 4.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 117.32 130.47 4.38 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.449 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 116.03 4.36 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.774 2.316 . . . . 0.0 112.35 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 80.8 p -69.81 121.98 18.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 9.8 t -87.59 105.38 17.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.477 -179.947 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 t -109.08 137.42 47.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.917 0.389 . . . . 0.0 110.843 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.4 t -124.43 108.63 12.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.893 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.42 41.53 0.17 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.538 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.1 m -80.27 124.62 28.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.868 0.366 . . . . 0.0 110.824 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 t -119.13 174.27 6.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.34 -142.75 7.65 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.472 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.6 tttt -78.18 149.34 33.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.831 0.348 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.8 p -130.71 131.47 64.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.127 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.411 ' HB ' ' NE2' ' A' ' 145' ' ' GLN . 83.4 t -100.55 106.34 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.112 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.418 ' HB3' ' CB ' ' A' ' 142' ' ' SER . 0.0 OUTLIER -122.3 160.06 26.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.907 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.561 ' CD1' ' HA ' ' A' ' 39' ' ' SER . 7.7 p90 -146.23 145.06 30.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.847 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.483 ' HB2' ' CE1' ' A' ' 138' ' ' PHE . 96.3 p -109.33 127.3 54.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.818 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -122.33 111.17 16.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.914 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 34.3 ttm -87.86 116.85 26.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.881 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.611 ' CE2' ' CG1' ' A' ' 18' ' ' ILE . 7.2 t90 -110.98 103.47 11.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 94.9 m -92.23 107.63 19.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.183 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.611 ' CG1' ' CE2' ' A' ' 16' ' ' TRP . 43.7 mt -90.87 98.11 7.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.122 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.451 ' O ' ' CG ' ' A' ' 20' ' ' ASN . 0.5 OUTLIER -63.16 146.29 53.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.924 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.457 ' HB2' ' CD1' ' A' ' 23' ' ' PHE . 19.8 p30 46.66 50.37 13.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 53' ' ' PRO . 29.6 t80 -58.54 -20.48 46.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.424 ' HB2' ' CD2' ' A' ' 123' ' ' LEU . 27.2 t -83.27 -10.57 58.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.81 -179.744 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.457 ' CD1' ' HB2' ' A' ' 20' ' ' ASN . 6.9 m-85 -89.05 -24.51 22.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.436 ' C ' ' O ' ' A' ' 23' ' ' PHE . 17.2 p -34.52 129.79 0.39 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -105.35 41.47 1.36 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -72.92 145.74 46.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -103.09 169.42 8.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 5.7 tpt -58.3 106.84 0.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.875 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 116.76 -54.27 0.6 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.501 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -48.11 162.77 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.863 0.363 . . . . 0.0 110.929 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.591 HG23 ' CG ' ' A' ' 52' ' ' ASN . 10.2 p -140.93 153.02 20.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.158 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 92.3 mt -92.84 104.13 15.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.092 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.6 mtmt -87.31 129.87 34.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.454 ' HB3' ' CZ3' ' A' ' 16' ' ' TRP . 91.5 p -93.14 176.2 6.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.832 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.1 m -67.22 169.7 8.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 44.7 p -89.73 121.63 32.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.174 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -117.09 152.97 33.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 78.5 p -138.77 178.0 7.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.561 ' HA ' ' CD1' ' A' ' 12' ' ' PHE . 2.0 m -52.02 -42.59 63.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -167.75 -117.19 0.39 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.523 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -48.65 175.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.786 0.327 . . . . 0.0 111.111 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -49.6 94.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -101.86 142.62 32.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -60.05 -54.43 46.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.659 HD21 ' HZ2' ' A' ' 47' ' ' TRP . 16.3 tp -69.32 116.79 10.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.5 mmtp -114.33 163.97 14.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.659 ' HZ2' HD21 ' A' ' 45' ' ' LEU . 58.4 m95 -141.28 154.89 45.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 26.9 t -143.62 151.1 39.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.403 HD22 HD11 ' A' ' 66' ' ' LEU . 56.2 mt -107.64 136.19 47.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.508 ' HB3' HG21 ' A' ' 31' ' ' VAL . 55.5 mtp180 -111.01 105.81 14.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.548 HG13 HD11 ' A' ' 64' ' ' LEU . 55.3 t -106.7 134.19 49.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.163 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.591 ' CG ' HG23 ' A' ' 31' ' ' VAL . 1.2 m120 -126.65 101.98 26.38 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.632 0.729 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.569 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 53.9 Cg_endo -69.78 -33.59 16.24 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.7 2.266 . . . . 0.0 112.342 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.3 mttm -91.81 -14.54 29.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.82 161.87 21.06 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.527 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.0 mt -72.99 -51.63 17.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.814 0.34 . . . . 0.0 110.931 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -130.28 167.04 19.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -53.31 -16.53 1.35 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 54.7 tt0 -69.51 -44.95 70.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.8 t -118.72 40.81 3.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -90.56 -38.99 12.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.938 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -67.64 -34.19 76.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.587 ' CD2' ' HG2' ' A' ' 115' ' ' LYS . 14.3 m-85 -95.59 168.74 10.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.548 HD11 HG13 ' A' ' 51' ' ' VAL . 2.0 tm? -93.35 123.06 36.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 t -95.63 122.02 37.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.814 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.403 HD11 HD22 ' A' ' 49' ' ' LEU . 8.7 tp -129.55 114.08 15.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.537 ' CE2' ' O ' ' A' ' 113' ' ' PHE . 35.0 m-85 -125.51 140.15 53.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 29.6 tp -90.96 114.39 26.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.571 HD12 ' O ' ' A' ' 109' ' ' LYS . 6.1 tp -102.68 140.13 37.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.578 HD21 ' HB3' ' A' ' 73' ' ' CYS . 20.2 tp -88.41 86.32 7.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.944 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.543 HG13 ' H ' ' A' ' 72' ' ' SER . 0.2 OUTLIER -41.52 -63.42 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.861 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.543 ' H ' HG13 ' A' ' 71' ' ' VAL . 4.4 t -147.55 149.05 31.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.901 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.578 ' HB3' HD21 ' A' ' 70' ' ' LEU . 25.8 p -141.02 141.76 25.14 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.617 0.722 . . . . 0.0 110.93 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.473 ' CD ' ' HB2' ' A' ' 45' ' ' LEU . 54.1 Cg_endo -69.75 -37.13 9.62 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.681 2.254 . . . . 0.0 112.379 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 12.7 pttm -107.08 153.9 21.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 33.0 m -39.92 -71.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.856 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -113.58 153.45 28.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.7 p -144.87 135.4 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.763 ' O ' HG22 ' A' ' 144' ' ' VAL . 35.9 mtp180 -102.44 133.94 46.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -160.32 152.15 20.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.092 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.616 ' HG3' ' HB2' ' A' ' 102' ' ' ALA . 63.2 mttt -101.84 131.17 48.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.431 ' CZ ' ' HA2' ' A' ' 112' ' ' GLY . 52.9 p90 -113.75 148.99 35.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.42 ' CG ' ' HG2' ' A' ' 98' ' ' GLU . 1.0 OUTLIER -142.33 118.15 10.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.87 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -98.02 143.68 28.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.838 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 80.8 p -156.27 162.6 40.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.508 HD11 ' CE2' ' A' ' 116' ' ' PHE . 26.6 mt -123.06 130.71 74.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.145 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.3 mt -94.44 110.28 22.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.456 ' OD1' ' N ' ' A' ' 90' ' ' LYS . 28.8 p30 -61.21 -176.86 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -54.75 -30.67 57.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.123 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.456 ' N ' ' OD1' ' A' ' 88' ' ' ASN . 1.7 mppt? -90.1 19.25 5.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 57.05 27.49 57.28 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -101.08 137.25 39.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.833 0.349 . . . . 0.0 110.916 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -62.93 134.24 55.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 8.8 t -152.86 147.72 26.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.147 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.422 ' HE2' ' CE2' ' A' ' 121' ' ' PHE . 30.4 mmtm 50.83 52.44 14.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.869 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -101.01 160.41 14.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.09 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.537 ' SD ' ' CG ' ' A' ' 113' ' ' PHE . 5.8 ptp -129.45 140.79 51.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.957 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.42 ' HG2' ' CG ' ' A' ' 83' ' ' LYS . 20.8 mt-10 -119.38 149.13 42.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.91 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.6 t -94.19 153.57 18.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -78.6 -56.76 4.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.884 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 21.4 tpt180 -138.66 137.82 37.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.884 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.616 ' HB2' ' HG3' ' A' ' 81' ' ' LYS . . . -47.74 146.19 2.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.065 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -106.35 166.63 10.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 31.0 ttp180 -81.45 100.38 9.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -90.41 137.74 32.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.574 HG22 ' HB2' ' A' ' 109' ' ' LYS . 11.9 m -142.22 157.46 19.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.156 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -46.94 106.27 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 92.41 25.93 19.67 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.476 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.574 ' HB2' HG22 ' A' ' 106' ' ' VAL . 17.7 tptt -102.67 151.24 22.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.815 0.34 . . . . 0.0 110.92 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -133.73 125.0 27.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 82.0 m95 -141.49 131.45 24.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.431 ' HA2' ' CZ ' ' A' ' 82' ' ' PHE . . . 173.83 -141.09 5.83 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.46 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.537 ' O ' ' CE2' ' A' ' 67' ' ' TYR . 2.3 m-85 -121.17 162.21 20.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.898 0.38 . . . . 0.0 110.898 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 50.9 tttt -93.61 -49.65 5.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.587 ' HG2' ' CD2' ' A' ' 63' ' ' TYR . 7.4 mptt -111.52 96.3 6.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.508 ' CE2' HD11 ' A' ' 86' ' ' ILE . 12.0 t80 -78.34 -49.93 12.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.787 HD11 ' CD2' ' A' ' 121' ' ' PHE . 3.9 tt -174.08 145.37 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.151 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.595 ' O ' HD12 ' A' ' 122' ' ' LEU . 44.8 mtt180 -51.81 131.09 30.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.848 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.42 ' HA ' HD13 ' A' ' 122' ' ' LEU . 23.8 ttp180 -61.87 -32.24 72.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.99 -32.32 69.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.852 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.787 ' CD2' HD11 ' A' ' 117' ' ' ILE . 54.2 t80 -65.37 -19.68 66.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.673 HD11 HG23 ' A' ' 117' ' ' ILE . 5.7 mp -85.51 -56.13 3.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.424 ' CD2' ' HB2' ' A' ' 22' ' ' SER . 4.7 mt -65.18 -23.96 67.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -54.39 155.96 3.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -91.62 -38.46 12.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -40.59 -46.12 2.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.102 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.593 ' OD1' ' CZ ' ' A' ' 121' ' ' PHE . 20.5 m-80 -81.99 -44.74 16.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 72.6 34.21 60.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.496 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.637 HD12 ' HA ' ' A' ' 122' ' ' LEU . 56.5 mt -68.86 -22.86 64.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.881 0.372 . . . . 0.0 110.946 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.439 HD23 ' O ' ' A' ' 129' ' ' LEU . 3.3 mt -129.33 79.56 73.88 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.648 0.737 . . . . 0.0 110.936 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -18.39 37.24 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.692 2.261 . . . . 0.0 112.354 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -129.18 27.07 5.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 59.5 28.58 18.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -125.62 127.73 46.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 29.7 tp -93.54 119.54 32.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 41.9 m -98.88 98.66 9.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.085 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.426 ' CD1' HG21 ' A' ' 51' ' ' VAL . 11.0 mt -91.47 111.57 23.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . 0.483 ' CE1' ' HB2' ' A' ' 13' ' ' SER . 7.3 t80 -99.69 102.29 13.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 36.9 t -106.71 147.83 29.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.886 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -132.04 115.53 15.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 59.2 t -104.59 130.15 55.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.118 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . 0.418 ' CB ' ' HB3' ' A' ' 11' ' ' LYS . 13.8 m -120.82 114.58 21.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 64.0 t -86.24 125.19 40.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.13 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.763 HG22 ' O ' ' A' ' 79' ' ' ARG . 19.6 m -82.19 101.44 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.135 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . 0.411 ' NE2' ' HB ' ' A' ' 10' ' ' VAL . 5.4 pt20 -128.64 122.08 30.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -43.42 -69.53 0.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 25.3 t -170.3 108.15 0.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 10.5 m -143.46 146.9 20.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -174.62 143.6 0.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 27.2 mm -93.61 102.02 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 28.9 t -55.49 128.72 35.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 75.12 68.26 1.58 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.469 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 11.4 tp60 -56.14 131.16 46.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.879 0.371 . . . . 0.0 110.878 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 15.2 m -97.71 98.54 9.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 166.45 -133.94 3.11 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.447 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 96.68 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.687 2.258 . . . . 0.0 112.392 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 51.4 p -149.95 149.42 30.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.84 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 39.4 m -79.61 154.65 28.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.493 -179.999 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.0 t -65.9 101.58 0.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.908 0.385 . . . . 0.0 110.887 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.1 t -109.04 88.51 2.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.834 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.07 -177.2 25.52 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.476 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.0 t -150.0 122.26 8.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.828 0.347 . . . . 0.0 110.911 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.7 m -120.58 108.37 13.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.12 -98.28 2.39 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.454 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.7 tttt -83.33 158.64 22.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.845 0.355 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.9 p -138.26 132.82 42.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.401 ' HB ' ' NE2' ' A' ' 145' ' ' GLN . 86.5 t -102.59 107.91 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.1 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.22 158.19 28.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.437 ' CD2' ' HB3' ' A' ' 39' ' ' SER . 17.2 p90 -144.36 147.56 33.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.859 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.458 ' HB2' ' CE1' ' A' ' 138' ' ' PHE . 81.7 p -107.79 130.13 55.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -125.78 110.6 13.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.94 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 34.3 ttm -87.7 114.03 23.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.875 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.518 ' HZ3' HG23 ' A' ' 51' ' ' VAL . 8.2 t90 -110.02 98.6 7.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 98.6 m -87.49 122.83 31.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.411 HD11 ' CZ2' ' A' ' 16' ' ' TRP . 39.7 mt -101.14 101.93 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.177 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.03 132.45 45.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.484 ' OD1' ' N ' ' A' ' 20' ' ' ASN . 0.5 OUTLIER 69.21 51.16 0.53 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.504 ' CZ ' ' HB3' ' A' ' 53' ' ' PRO . 90.7 t80 -66.58 -46.17 76.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.8 p -67.58 -7.26 24.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.836 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.468 ' O ' ' C ' ' A' ' 24' ' ' CYS . 5.5 m-85 -89.24 -22.52 22.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.468 ' C ' ' O ' ' A' ' 23' ' ' PHE . 22.3 p -33.01 133.15 0.14 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -105.18 41.79 1.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -72.37 126.86 30.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 28' ' ' MET . 13.1 pt-20 -87.03 -53.68 4.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.939 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.45 ' N ' ' HG3' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -175.17 127.25 0.27 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.84 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 30' ' ' GLU . . . 80.25 -39.49 2.29 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 29' ' ' GLY . 22.8 mt-10 -34.41 139.4 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.946 0.403 . . . . 0.0 110.848 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.625 HG23 ' ND2' ' A' ' 52' ' ' ASN . 9.9 p -124.05 153.89 30.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.137 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.608 HD12 ' HD3' ' A' ' 53' ' ' PRO . 35.7 mt -108.41 102.82 14.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.11 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 55.3 mttt -84.99 134.87 34.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.416 ' HB3' ' CZ3' ' A' ' 16' ' ' TRP . 84.9 p -97.33 172.14 7.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.86 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 m -67.89 168.79 10.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 76.5 p -86.83 120.65 28.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -119.34 149.64 41.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 39' ' ' SER . 17.7 p -140.07 155.49 47.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.843 -179.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.437 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 62.7 p -35.12 -46.83 0.35 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -169.44 -143.48 3.89 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.49 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.88 155.06 21.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.813 0.34 . . . . 0.0 111.096 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 64.47 38.64 7.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -116.09 107.62 15.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -68.2 -37.28 80.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.712 HD22 ' NE1' ' A' ' 47' ' ' TRP . 2.6 tt -71.43 129.11 37.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.902 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.464 ' N ' HD23 ' A' ' 45' ' ' LEU . 39.1 mmtm -122.72 160.6 25.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.712 ' NE1' HD22 ' A' ' 45' ' ' LEU . 57.5 m95 -137.73 152.6 49.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 34.7 t -137.47 147.62 45.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.449 HD11 ' CB ' ' A' ' 139' ' ' CYS . 18.9 mt -113.98 125.07 53.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.499 ' CZ ' ' HB2' ' A' ' 69' ' ' LEU . 15.8 mtm180 -103.26 116.38 32.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.632 HG22 HD13 ' A' ' 66' ' ' LEU . 74.8 t -112.45 135.34 52.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.093 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.679 ' O ' HD22 ' A' ' 64' ' ' LEU . 1.4 m120 -129.94 101.54 18.18 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.646 0.736 . . . . 0.0 110.887 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.608 ' HD3' HD12 ' A' ' 32' ' ' ILE . 54.1 Cg_endo -69.67 -8.17 22.92 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.69 2.26 . . . . 0.0 112.384 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.8 tttp -121.92 6.19 9.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 72.7 -178.74 38.89 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.51 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 54.2 mt -95.8 -35.17 11.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.843 0.354 . . . . 0.0 110.952 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -135.54 171.44 14.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -58.75 -22.87 58.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.404 ' HG2' ' NZ ' ' A' ' 114' ' ' LYS . 12.4 tt0 -65.72 -62.74 1.34 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 28.1 t -100.48 40.78 1.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -84.4 -29.68 25.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.862 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -75.81 -26.7 57.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -99.02 170.23 8.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.679 HD22 ' O ' ' A' ' 52' ' ' ASN . 2.3 tm? -92.87 126.59 38.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.951 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.576 ' N ' HD13 ' A' ' 64' ' ' LEU . 3.7 t -103.08 108.01 19.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.632 HD13 HG22 ' A' ' 51' ' ' VAL . 27.1 tp -119.39 125.8 49.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.456 ' CE2' ' O ' ' A' ' 113' ' ' PHE . 47.0 m-85 -130.71 163.51 27.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.928 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.477 ' CD2' ' HB3' ' A' ' 82' ' ' PHE . 66.9 tp -116.63 99.51 7.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.499 ' HB2' ' CZ ' ' A' ' 50' ' ' ARG . 5.6 tp -91.18 136.35 33.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.687 HD23 ' C ' ' A' ' 106' ' ' VAL . 50.3 tp -83.79 83.2 8.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.552 HG13 ' H ' ' A' ' 72' ' ' SER . 0.2 OUTLIER -36.87 -64.29 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 179.831 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.552 ' H ' HG13 ' A' ' 71' ' ' VAL . 9.9 t -146.31 159.56 43.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.495 ' HB3' HD21 ' A' ' 70' ' ' LEU . 12.1 p -154.52 139.38 11.78 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.605 0.716 . . . . 0.0 110.896 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -51.27 0.4 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.711 2.274 . . . . 0.0 112.303 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.8 ptpt -79.91 152.12 29.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.3 m -46.07 -52.45 11.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -134.91 153.56 52.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.4 p -145.61 141.58 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.137 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.833 ' O ' HG22 ' A' ' 144' ' ' VAL . 42.1 mtp180 -113.4 135.87 53.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -159.88 156.9 28.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.076 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.439 ' HG3' ' HB2' ' A' ' 102' ' ' ALA . 77.4 mttt -102.22 128.85 48.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.477 ' HB3' ' CD2' ' A' ' 68' ' ' LEU . 51.6 p90 -108.79 141.38 40.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.539 ' HZ2' ' HB3' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -135.09 134.71 40.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.915 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -113.91 146.58 39.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.874 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 75.1 p -161.1 153.67 20.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.862 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 50.7 mt -116.41 132.83 64.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.147 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.3 mt -96.85 112.71 24.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.469 ' OD1' ' N ' ' A' ' 90' ' ' LYS . 23.2 p30 -62.18 -176.62 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.59 -32.03 64.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.081 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.469 ' N ' ' OD1' ' A' ' 88' ' ' ASN . 6.8 mptt -88.1 18.57 4.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.858 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 55.1 31.79 56.37 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.495 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -107.49 135.32 49.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.826 0.345 . . . . 0.0 110.889 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -53.95 137.5 39.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.403 HG21 HD11 ' A' ' 129' ' ' LEU . 9.9 t -161.03 143.84 12.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.562 ' HB3' HD12 ' A' ' 117' ' ' ILE . 28.3 mmtt 51.49 49.38 21.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -101.65 163.51 12.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.104 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.481 ' CE ' ' CD2' ' A' ' 113' ' ' PHE . 12.9 mtm -138.59 116.76 11.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.514 ' HB3' ' CG ' ' A' ' 83' ' ' LYS . 3.0 pt-20 -129.41 149.86 51.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 37.3 t -129.52 161.01 31.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -107.11 51.0 0.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.947 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 24.9 mtt180 -160.98 137.54 8.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.439 ' HB2' ' HG3' ' A' ' 81' ' ' LYS . . . -96.75 152.17 18.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -113.43 157.44 21.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.7 ttm105 -76.66 99.67 5.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.512 ' HB3' HD22 ' A' ' 70' ' ' LEU . 22.9 m-85 -89.63 141.84 28.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.687 ' C ' HD23 ' A' ' 70' ' ' LEU . 20.0 m -151.94 159.83 3.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.115 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -47.9 98.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 99.43 23.47 11.11 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.489 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.608 ' HB2' HG22 ' A' ' 106' ' ' VAL . 18.4 tptt -98.85 144.11 28.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.808 0.337 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -127.24 126.08 42.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 45.2 m95 -144.48 122.57 12.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.412 ' HA2' ' CE1' ' A' ' 82' ' ' PHE . . . 179.1 -152.16 10.91 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.526 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.481 ' CD2' ' CE ' ' A' ' 97' ' ' MET . 21.8 m-85 -119.33 156.41 30.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.916 0.388 . . . . 0.0 110.876 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.404 ' NZ ' ' HG2' ' A' ' 59' ' ' GLU . 12.1 tttm -88.83 -54.65 4.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 49.8 mttt -102.57 98.33 8.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -83.59 -57.34 3.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.582 ' CG2' HD21 ' A' ' 122' ' ' LEU . 4.8 tt -161.79 149.59 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -62.28 113.11 2.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 7.5 ttp180 -44.23 -44.63 8.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -49.04 -43.74 40.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.617 ' CE1' ' ND2' ' A' ' 127' ' ' ASN . 72.9 t80 -58.29 -43.04 87.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.582 HD21 ' CG2' ' A' ' 117' ' ' ILE . 13.4 mt -54.88 -63.3 1.2 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.89 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.515 ' N ' HD12 ' A' ' 123' ' ' LEU . 3.3 mp -62.37 -33.34 74.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 123' ' ' LEU . 9.6 t0 -34.37 141.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -84.69 -33.64 23.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -50.01 -37.98 35.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.095 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.617 ' ND2' ' CE1' ' A' ' 121' ' ' PHE . 35.7 m-80 -93.97 -44.75 7.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.86 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 71.81 43.78 49.6 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.518 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.489 ' CD2' ' HB2' ' A' ' 127' ' ' ASN . 3.5 mm? -63.39 -20.94 65.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.812 0.339 . . . . 0.0 110.863 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.3 mt -128.04 85.42 60.62 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.632 0.73 . . . . 0.0 110.943 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -30.27 22.55 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.686 2.257 . . . . 0.0 112.338 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -120.38 26.45 9.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 63.34 26.0 14.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -124.79 126.57 45.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 46.7 tp -89.15 104.47 17.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.959 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 58.3 m -82.66 99.38 9.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.143 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.411 ' CD1' HG21 ' A' ' 51' ' ' VAL . 7.4 mt -95.42 117.57 30.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . 0.458 ' CE1' ' HB2' ' A' ' 13' ' ' SER . 6.8 t80 -102.71 110.6 22.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' CYS . . . . . 0.449 ' CB ' HD11 ' A' ' 49' ' ' LEU . 18.7 t -112.91 141.96 46.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -126.41 112.86 16.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 59.1 t -103.25 128.71 56.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 16.1 m -118.35 112.17 19.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 59.0 t -84.16 132.27 31.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.833 HG22 ' O ' ' A' ' 79' ' ' ARG . 19.8 m -91.12 99.54 9.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.082 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . 0.401 ' NE2' ' HB ' ' A' ' 10' ' ' VAL . 4.7 pt20 -125.61 146.54 49.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 147' ' ' SER . 1.1 m-20 -79.83 44.25 0.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 146' ' ' ASP . 2.7 t 34.73 41.63 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 36.0 m -62.15 150.52 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.107 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 -54.09 -47.46 71.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 87.9 mt -38.2 -53.33 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.168 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 51.7 p -85.49 150.98 24.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 171.39 133.78 1.68 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.516 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -70.48 145.68 50.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.816 0.341 . . . . 0.0 110.935 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 49.2 m -142.56 175.14 10.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -166.27 142.78 7.88 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.53 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 0.99 4.88 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.665 2.243 . . . . 0.0 112.342 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 24.9 p 45.95 41.62 8.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 36.6 p -50.98 155.9 1.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.841 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.514 -179.958 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m 46.25 47.32 13.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.836 0.35 . . . . 0.0 110.862 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.1 m -76.41 116.86 17.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.49 119.69 6.56 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.471 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -95.39 -45.84 6.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.881 0.372 . . . . 0.0 110.863 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -138.4 124.06 19.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.812 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.89 104.34 1.2 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.484 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 41.8 tttm -68.49 156.28 38.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.795 0.331 . . . . 0.0 110.92 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.2 p -134.0 135.93 54.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 85.5 t -103.73 103.07 14.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.134 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.462 ' CB ' ' HA ' ' A' ' 142' ' ' SER . 0.0 OUTLIER -115.31 170.0 8.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.916 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.516 ' CG ' ' HA ' ' A' ' 39' ' ' SER . 6.8 p90 -159.51 151.7 20.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 98.2 p -113.17 153.14 28.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.866 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -147.16 109.83 4.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.922 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.5 ' HE3' HD12 ' A' ' 87' ' ' LEU . 0.2 OUTLIER -84.62 126.49 33.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.544 ' NE1' ' CG1' ' A' ' 18' ' ' ILE . 6.0 t90 -121.33 100.21 6.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.933 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 59.5 m -93.15 100.37 12.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.141 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.544 ' CG1' ' NE1' ' A' ' 16' ' ' TRP . 70.6 mt -78.32 100.34 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.143 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.683 ' ND2' ' H ' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -67.61 131.82 46.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.924 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.484 ' OD1' ' N ' ' A' ' 20' ' ' ASN . 0.3 OUTLIER 69.04 50.82 0.56 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.418 ' CZ ' ' HB3' ' A' ' 53' ' ' PRO . 64.8 t80 -61.94 -53.56 54.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.3 t -57.91 -16.51 12.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.437 ' O ' ' C ' ' A' ' 24' ' ' CYS . 5.6 m-85 -85.02 -22.93 28.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.849 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.437 ' C ' ' O ' ' A' ' 23' ' ' PHE . 19.8 p -34.24 121.84 0.48 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.2 tpt85 -117.97 50.07 1.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.476 ' HG3' ' CB ' ' A' ' 30' ' ' GLU . 3.6 tp10 -97.0 130.56 44.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -68.97 166.36 18.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.2 ttm -55.53 152.6 8.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.11 -58.44 5.0 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.536 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.476 ' CB ' ' HG3' ' A' ' 26' ' ' GLU . 0.6 OUTLIER -42.3 159.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.847 0.356 . . . . 0.0 110.885 -179.897 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.66 HG23 ' ND2' ' A' ' 52' ' ' ASN . 7.3 p -139.54 149.26 22.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.103 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.0 mt -96.4 98.6 7.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.095 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.0 mtmt -93.12 123.24 36.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 81.0 p -82.7 175.34 10.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.853 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.9 m -65.55 167.7 8.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.851 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.9 p -83.8 120.73 26.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.165 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 10.8 p90 -112.33 166.96 10.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.1 p -139.91 -176.03 4.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.516 ' HA ' ' CG ' ' A' ' 12' ' ' PHE . 13.6 t -66.68 -48.31 69.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -169.65 -71.62 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.528 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.92 166.75 20.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.816 0.341 . . . . 0.0 111.103 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -51.76 91.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.966 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -100.85 135.8 41.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.842 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 46.1 mmtt -57.72 -54.01 51.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.635 HD22 ' NE1' ' A' ' 47' ' ' TRP . 3.2 tt -59.65 126.86 29.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.926 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.552 ' N ' HD23 ' A' ' 45' ' ' LEU . 56.9 mmtt -116.04 155.77 27.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.635 ' NE1' HD22 ' A' ' 45' ' ' LEU . 70.6 m95 -132.41 152.32 51.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.884 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.403 ' SG ' HD23 ' A' ' 69' ' ' LEU . 19.8 p -141.37 142.53 33.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.889 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 49' ' ' LEU . 13.0 mt -103.1 132.71 49.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 21.6 mtt180 -109.91 102.17 10.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.663 HG22 HD12 ' A' ' 66' ' ' LEU . 60.2 t -106.34 134.76 46.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.66 ' ND2' HG23 ' A' ' 31' ' ' VAL . 4.8 m-80 -134.8 100.77 11.96 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.624 0.726 . . . . 0.0 110.905 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.842 ' HA ' HD22 ' A' ' 64' ' ' LEU . 54.5 Cg_endo -69.79 -43.47 2.62 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.649 2.232 . . . . 0.0 112.362 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.1 mttp -78.46 9.95 3.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.923 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 58.14 -173.87 2.82 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 22.5 mt -103.38 -49.93 3.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.833 0.349 . . . . 0.0 110.945 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.87 167.2 11.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -60.2 -10.34 4.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -78.1 -42.13 32.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.0 m -118.52 36.61 4.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.876 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.456 ' CG ' ' N ' ' A' ' 62' ' ' ASP . 2.9 ptmm? -77.74 -48.59 16.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.456 ' N ' ' CG ' ' A' ' 61' ' ' LYS . 32.4 m-20 -68.85 -19.48 64.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -98.55 159.57 14.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.842 HD22 ' HA ' ' A' ' 53' ' ' PRO . 0.1 OUTLIER -88.66 123.28 32.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.963 179.916 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.57 ' N ' HD13 ' A' ' 64' ' ' LEU . 17.7 t -104.26 117.04 33.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.663 HD12 HG22 ' A' ' 51' ' ' VAL . 8.9 tt -128.42 140.12 52.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.966 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.509 ' CE1' ' O ' ' A' ' 113' ' ' PHE . 59.8 m-85 -143.9 150.75 38.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.586 HD23 ' CZ ' ' A' ' 105' ' ' PHE . 50.0 tp -99.82 111.93 24.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.894 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.763 HD12 ' O ' ' A' ' 109' ' ' LYS . 8.6 tp -105.01 143.24 33.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.874 HD21 ' HB3' ' A' ' 73' ' ' CYS . 51.7 tp -91.78 82.48 5.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.582 HG13 ' H ' ' A' ' 72' ' ' SER . 1.3 p -34.12 -57.2 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.121 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.582 ' H ' HG13 ' A' ' 71' ' ' VAL . 20.1 m -155.58 152.59 28.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.835 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.874 ' HB3' HD21 ' A' ' 70' ' ' LEU . 30.5 p -141.19 144.75 35.79 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.634 0.73 . . . . 0.0 110.864 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -50.72 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.649 2.233 . . . . 0.0 112.322 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.9 pttm -92.26 167.5 11.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.93 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 t -45.01 -64.34 0.73 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -128.61 166.22 19.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.7 p -150.05 140.05 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.17 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.746 ' O ' HG22 ' A' ' 144' ' ' VAL . 18.6 mtp85 -105.18 133.14 50.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -161.39 156.1 23.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.082 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.615 ' HG3' ' HB2' ' A' ' 102' ' ' ALA . 25.2 mttp -102.2 143.18 32.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.535 ' HB3' HD22 ' A' ' 68' ' ' LEU . 24.2 p90 -122.3 146.07 47.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.469 ' CG ' ' HG2' ' A' ' 98' ' ' GLU . 3.2 tmmm? -139.81 114.91 9.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -98.27 137.86 36.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.501 ' CB ' ' HB2' ' A' ' 96' ' ' ALA . 93.2 p -152.91 164.53 37.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.616 HD11 HG21 ' A' ' 117' ' ' ILE . 36.1 mt -123.31 128.68 74.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.116 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.5 HD12 ' HE3' ' A' ' 15' ' ' MET . 7.7 mt -91.35 114.57 27.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.459 ' OD1' ' N ' ' A' ' 90' ' ' LYS . 25.9 p30 -61.94 178.1 0.39 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.676 ' HB2' ' O ' ' A' ' 128' ' ' GLY . . . -52.13 -30.18 25.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.102 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.459 ' N ' ' OD1' ' A' ' 88' ' ' ASN . 0.5 OUTLIER -89.71 19.22 4.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.76 32.23 61.63 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -106.59 137.51 44.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.854 0.359 . . . . 0.0 110.879 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -61.98 131.6 50.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.2 t -155.1 146.49 22.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.137 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 40.1 mmtt 54.27 51.71 13.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.501 ' HB2' ' CB ' ' A' ' 85' ' ' SER . . . -102.47 157.65 16.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.085 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.405 ' HE3' ' CD1' ' A' ' 113' ' ' PHE . 16.3 mtm -132.52 124.82 29.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.469 ' HG2' ' CG ' ' A' ' 83' ' ' LYS . 37.4 mt-10 -99.2 159.62 14.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 8.3 t -100.99 146.73 27.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -62.21 -60.28 3.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.432 ' O ' ' CD1' ' A' ' 103' ' ' TYR . 11.1 ttm180 -144.49 145.88 32.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.823 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.615 ' HB2' ' HG3' ' A' ' 81' ' ' LYS . . . -42.08 159.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.085 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.432 ' CD1' ' O ' ' A' ' 101' ' ' ARG . 8.9 m-85 -124.61 161.22 26.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 20.7 ttm180 -75.52 98.81 4.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.586 ' CZ ' HD23 ' A' ' 68' ' ' LEU . 20.7 m-85 -90.54 131.92 36.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.536 HG22 ' HB2' ' A' ' 109' ' ' LYS . 10.9 m -140.02 158.13 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.154 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -47.65 104.24 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 95.97 25.27 13.23 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.504 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.763 ' O ' HD12 ' A' ' 69' ' ' LEU . 15.6 tptt -101.6 146.03 28.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.759 0.314 . . . . 0.0 110.947 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.8 p-10 -132.6 122.41 24.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 76.0 m95 -134.46 125.47 27.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 177.08 -159.5 25.91 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.462 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.509 ' O ' ' CE1' ' A' ' 67' ' ' TYR . 56.6 m-85 -115.37 163.32 15.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.925 0.393 . . . . 0.0 110.916 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 28.6 tttp -90.99 -51.11 5.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 30.8 mttt -101.62 89.26 3.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.411 ' HB3' ' O ' ' A' ' 64' ' ' LEU . 9.6 t80 -75.48 -47.3 27.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.616 HG21 HD11 ' A' ' 86' ' ' ILE . 4.0 tt -173.61 145.58 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.101 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 31.4 mtt180 -61.65 108.42 0.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.451 ' HD2' ' CA ' ' A' ' 53' ' ' PRO . 31.2 mtp180 -45.5 -43.63 11.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -46.99 -40.11 13.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.806 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.667 ' CD2' HD11 ' A' ' 129' ' ' LEU . 47.1 t80 -63.88 -35.85 81.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.884 ' HA ' HD12 ' A' ' 129' ' ' LEU . 8.6 mp -69.63 -58.42 3.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.956 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.455 ' N ' HD12 ' A' ' 123' ' ' LEU . 6.7 mp -55.94 -15.55 3.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -75.68 122.38 23.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -70.72 -33.52 70.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -46.65 -31.67 3.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.13 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.593 ' OD1' ' CE1' ' A' ' 121' ' ' PHE . 50.1 m-80 -86.17 -37.91 18.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.676 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . 92.82 -9.47 75.47 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.465 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.884 HD12 ' HA ' ' A' ' 122' ' ' LEU . 42.9 mt -40.87 -32.8 0.25 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.824 0.345 . . . . 0.0 110.886 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.737 HD23 ' O ' ' A' ' 129' ' ' LEU . 11.6 mt -134.37 88.5 29.84 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.603 0.716 . . . . 0.0 110.907 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -34.42 14.7 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.696 2.264 . . . . 0.0 112.37 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -125.13 22.64 7.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 70.45 41.57 0.97 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.514 ' O ' HD22 ' A' ' 130' ' ' LEU . 4.4 mtpt -121.79 130.75 53.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.595 HD21 HD23 ' A' ' 122' ' ' LEU . 1.3 tm? -94.64 94.03 7.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 22.5 m -87.7 98.62 11.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.573 HD12 HD12 ' A' ' 135' ' ' LEU . 1.2 mt -97.04 120.02 36.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -102.84 101.81 11.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.833 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' CYS . . . . . . . . . . . . . 51.1 t -105.05 153.7 21.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -139.25 113.79 9.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 50.1 t -102.0 127.1 55.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.11 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . 0.462 ' HA ' ' CB ' ' A' ' 11' ' ' LYS . 14.8 m -112.17 108.19 17.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 35.8 t -87.44 126.13 41.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.746 HG22 ' O ' ' A' ' 79' ' ' ARG . 16.6 m -79.62 112.07 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.105 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -118.41 147.06 43.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -118.16 -68.34 0.92 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . 0.513 ' O ' HG13 ' A' ' 148' ' ' VAL . 23.4 p -126.13 64.44 1.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.891 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.513 HG13 ' O ' ' A' ' 147' ' ' SER . 27.4 m -160.38 140.92 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.111 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . 0.587 ' OD1' HD12 ' A' ' 150' ' ' ILE . 29.5 t30 -147.83 179.5 7.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . 0.776 HD12 ' H ' ' A' ' 150' ' ' ILE . 5.0 mp -55.02 130.83 17.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 15.2 t -161.62 172.19 16.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . -173.06 147.51 9.73 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.48 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -69.25 113.94 7.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.82 0.343 . . . . 0.0 110.944 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.9 t -86.95 167.02 14.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.902 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 146.96 171.77 16.53 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 2.25 3.72 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.706 2.271 . . . . 0.0 112.318 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' SER . . . . . . . . . . . . . 22.8 t -119.28 170.08 9.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.837 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 47.4 t -39.99 139.36 0.69 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.493 -179.988 . . . . . . . . 0 0 . 1 stop_ save_